Crop protection, Food, Feed and Flavor Chemicals

2-ACRYLAMIDO-2-METHYLPROPANE SULFONIC ACID MONOMER
2-Acrylamido-2-methylpropane sulfonic acid monomer was a Trademark name by The Lubrizol Corporation.
2-Acrylamido-2-methylpropane sulfonic acid monomer is a reactive, hydrophilic, sulfonic acid acrylic monomer used to alter the chemical properties of wide variety of anionic polymers.
In the 1970s, the earliest patents using 2-Acrylamido-2-methylpropane sulfonic acid monomer were filed for acrylic fiber manufacturing.

CAS: 15214-89-8
MF: C7H13NO4S
MW: 207.25
EINECS: 239-268-0

Synonyms
1-Propanesulfonicacid,2-methyl-2-[(1-oxo-2-propenyl)amino]-;2-Acrylamido-2-methyl-1-propane;2-acrylamido-2-methylpropanesulfonate;1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]-;2-ACRYLAMIDE-2-METHYLPROPANESULFONIC ACID;2-ACRYLAMIDO-2-METHYL-1-PROPANESULFONIC ACID;2-ACRYLAMIDO-2-METHYLPROPANESULFONIC ACID;2-ACRYLAMIDO-2-METHYLPROPANESULPHONIC ACID

Today, there are over several thousands patents and publications involving use of 2-Acrylamido-2-methylpropane sulfonic acid monomer in many areas including water treatment, oil field, construction chemicals, hydrogels for medical applications, personal care products, emulsion coatings, adhesives, and rheology modifiers.
Lubrizol discontinued the production of 2-Acrylamido-2-methylpropane sulfonic acid monomer in 2017 due to copy-cat production from China and India destroying the profitability of this product.

2-Acrylamido-2-methylpropane sulfonic acid monomer Chemical Properties
Melting point: 195 °C (dec.) (lit.)
Density: 1.45
Vapor pressure: Refractive index: 1.6370 (estimate)
Fp: 160 °C
Storage temp.: Store below +30°C.
Solubility: >500g/l soluble
pka: 1.67±0.50(Predicted)
Form: solution
Color: White
Water Solubility: 1500 g/L (20 ºC)
Sensitive: Hygroscopic
BRN: 1946464
Stability: Light Sensitive
InChIKey: HNKOEEKIRDEWRG-UHFFFAOYSA-N
LogP: -3.7 at 20℃ and pH1-7
Surface tension: 70.5mN/m at 1g/L and 20℃
Dissociation constant: 2.4 at 20℃
CAS DataBase Reference:15214-89-8(CAS DataBase Reference)
EPA Substance Registry System: 2-Acrylamido-2-methylpropane sulfonic acid monomer (15214-89-8)

2-Acrylamido-2-methylpropane sulfonic acid monomer is a sulfonic acid acrylic monomer.
2-Acrylamido-2-methylpropane sulfonic acid monomer is reactive and hydrophilic.
The sulfonate group gives 2-Acrylamido-2-methylpropane sulfonic acid monomer a high degree of hydrophilicity and anionic character at a wide pH range.
2-Acrylamido-2-methylpropane sulfonic acid monomer absorbs water readily and imparts enhanced water absorption and transport characteristics to polymers.

2-Acrylamido-2-methylpropane sulfonic acid monomer changes the chemical properties of a wide variety of anionic polymers.
2-Acrylamido-2-methylpropane sulfonic acid monomer is very soluble in water and dimethylformamide (DMF) and shows limited solubility in most polar organic solvents.

2-Acrylamido-2-methylpropane sulfonic acid monomer is a white crystals.
The melting point is 195°C (decomposition).
Soluble in water, the solution is acidic.
Soluble in dimethylformamide, partially soluble in methanol, ethanol, insoluble in acetone. Slightly sour.

Application
2-Acrylamido-2-methylpropane sulfonic acid monomer is an important monomer.
2-Acrylamido-2-methylpropane sulfonic acid monomer's copolymers or homopolymers with different molecular weight can be widely used in textile, oil drilling, water treatment, papermaking, dying, coating, cosmetics, electronics, etc. because of its unique formular structure—containing sulfonic acid group and unsaturated radical, thus showing excellent properties in many aspects.

Uses:
1. Water treatment applications.
The cation stability of the 2-Acrylamido-2-methylpropane sulfonic acid monomer-containing polymers is very useful for water treatment processes.
Such polymers with low molecular weights can inhibit calcium, magnesium, and silica scale in cooling towers and boilers and help corrosion control by dispersing iron oxide.
When high molecular weight polymers are used, they can precipitate solids in the treatment of industrial effluent stream.

2. Oil field applications.
Polymers in oil field applications must stand in hostile environments and require thermal and hydrolytic stability and resistance to hard water-containing metal ions.
For example, in drilling operations where high salinity, high temperature, and high pressure are present, 2-Acrylamido-2-methylpropane sulfonic acid monomer copolymers can inhibit fluid loss and be used in oil field environments as scale inhibitors, friction reducers, and water-control polymers and in polymer flooding applications.

3. Construction applications.
Superplasticizers with 2-Acrylamido-2-methylpropane sulfonic acid monomer are used to reduce water in concrete formulations.
The benefits of these additives include improved strength, workability, and durability of cement mixtures.
In addition, re-dispersible polymer powder, when 2-Acrylamido-2-methylpropane sulfonic acid monomer is introduced in cement mixtures, controls air pore content and prevents agglomeration of powders during the spray-drying process from powder manufacturing and storage.

Coating formulations with 2-Acrylamido-2-methylpropane sulfonic acid monomer-containing polymers prevent calcium ions from forming as lime on the concrete surface and improve the appearance and durability of the coating.

4. Medical hydrogel applications.
High water-absorbing and swelling capacity when introducing 2-Acrylamido-2-methylpropane sulfonic acid monomer to a hydrogel are keys to medical applications.
In addition, Hydrogel with 2-Acrylamido-2-methylpropane sulfonic acid monomer showed uniform conductivity, low electrical impedance, cohesive strength, appropriate skin adhesion, and biocompatible and capable of repeated use and have been used for electrocardiograph (ECG) electrodes, defibrillation electrode, electrosurgical grounding pads, and iontophoretic drug delivery electrodes.

In addition, polymers derived from 2-Acrylamido-2-methylpropane sulfonic acid monomer are used as the absorbing hydrogel and the tackifier component of wound dressings.
Finally, 2-Acrylamido-2-methylpropane sulfonic acid monomer is used due to its high water absorption and retention capability as a monomer in superabsorbent, e. g. for baby diapers.

5. Personal care products.
Strong polar and hydrophilic properties introduced to a high molecular weight 2-Acrylamido-2-methylpropane sulfonic acid monomer homopolymer are exploited as a very efficient lubricant characteristic for skin care.

6. Coating and adhesive.
2-Acrylamido-2-methylpropane sulfonic acid monomer's sulfonic acid group gives the monomers ionic character over a wide pH range.
Anionic charges from 2-Acrylamido-2-methylpropane sulfonic acid monomer fixed on polymer particles enhance the chemical and shear stabilities of polymer emulsion and reduce surfactants leaching out of paint film.
2-Acrylamido-2-methylpropane sulfonic acid monomer improves adhesive thermal and mechanical properties and increases pressure-sensitive adhesive formulations’ adhesive strength.

7. Detergents.
Enhances the washing performance of surfactants by binding multivalent cations and reducing dirt attachment.

2-Acrylamido-2-methyl-1-propanesulfonic acid (AMPS) has a polymerizable vinyl group and a hydrophilic sulfonic acid group in the molecule, which can be used with acrylonitrile, acrylamide and other water-soluble monomers , Styrene, vinyl chloride and other water-insoluble monomer copolymerization.
Introduce hydrophilic sulfonic acid groups into polymers to make fibers, films, etc. have hygroscopic water permeability and conductivity.
2-Acrylamido-2-methylpropane sulfonic acid monomer can be used in paper industry and wastewater treatment.
Used as paint modifier, fiber modifier and medical polymer.
2-Acrylamido-2-methylpropane sulfonic acid monomer can be homopolymerized or copolymerized.
2-Acrylamido-2-methylpropane sulfonic acid monomer has an average heat of polymerization of 22 kcal / coulamide in water and can be used as the polymerization medium.
Generally, water-soluble ammonium persulfate and hydrogen peroxide are used as initiators.
Commonly used monomers with 2-acrylamido-2-methylpropanesulfonic acid are acrylonitrile.
2-Acrylamido-2-methylpropane sulfonic acid monomer is a reactive, hydrophilic, sulfonic acid acrylic monomer used to alter the chemical properties of wide variety of anionic polymers.
2-Acrylamido-2-methylpropane sulfonic acid monomer can be used in many areas including water treatment, oil field, construction chemicals, hydrogels, personal care products, emulsion coatings, adhesives, and rheology modifiers.
AMMONIUM POLYPHOSPHATE
Ammonium polyphosphate is an organic salt of polyphosphoric acid and ammonia.
As a chemical, Ammonium polyphosphate is non-toxic, environmentally friendly and halogen-free.
It is most commonly used as a flame retardant, selection of the specific grade of ammonium polyphosphate can be determined by the solubility, Phosphorus content, chain length and polymerization degree.

CAS: 68333-79-9
MF: H12N3O4P
MW: 149.086741
EINECS: 269-789-9

The chain length (n) of this polymeric compound can be linear or branched.
Depending on the polymerization degree, there are two main families of ammonium polyphosphate: Crystal phase I APP (or APP I), and Crystal phase II APP (or APP II).
Ammonium polyphosphate phase I has a short and linear chain (n < 100), it is more water sensitive (hydrolysis) and less thermally stable; actually it begins to decompose at temperatures above 150 °C.
The second family of Ammonium polyphosphate is the APP Phase II; which has an high polymerization degree, with n>1000, its structure is cross linked (branched), and Ammonium polyphosphate is an high-quality non-halogenated flame retardant.
APP phase II, Ammonium polyphosphate, has an higher thermal stability (the decomposition starts at approximately 300°C) and lower water solubility than APP I.

Ammonium polyphosphates are liquid fertilizers with compositions up to 11-37-0, manufactured by the reaction of anhydrous ammonia with superphosphoric acid.
Superphosphoric acid is made by the concentration of regular wet-process acid up to P2O5 concentrations of 78%.
Granular polyphosphates suitable for bulk blending are made by reacting ammonia with regular wet process acid of 52% P2O5 content and using the heat of reaction to drive off water to produce a phosphate melt of 10-43-0, with about 40% of the phosphorus in the polyphosphate form.

Ammonium polyphosphate is an inorganic salt of polyphosphoric acid and ammonia containing both chains and possibly branching.
Ammonium polyphosphate's chemical formula is H(NH4PO3)nOH showing that each monomer consists of an orthophosphate radical of a phosphorus atom with three oxygens and one negative charge neutralized by an ammonium cation leaving two bonds free to polymerize.
In the branched cases some monomers are missing the ammonium anion and instead link to three other monomers.

Ammonium Polyphosphate is a stable and non-volatile compound.
Ammonium polyphosphate comes under the category of halogen free flame retardants and works as a smoke suppressant too.
Ammonium Polyphosphate is very cost effective when compared to other halogen free systems.
Lower loading into polymers ensures good retention of mechanical and electrical properties and excellent flow.
Allowing plastics to exhibit excellent processability, Ammonium Polyphosphate is used as an efficient flame retardant in the furniture industry and for interior fabrics for the automotive industry.

The properties of ammonium polyphosphate depend on the number of monomers in each molecule and to a degree on how often it branches.
Shorter chains (n < 100) are more water sensitive and less thermally stable than longer chains (n > 1000), but short polymer chains (e.g. pyro-, tripoly-, and tetrapoly-) are more soluble and show increasing solubility with increasing chain length.

Ammonium polyphosphate can be prepared by reacting concentrated phosphoric acid with ammonia. However, iron and aluminum impurities, soluble in concentrated phosphoric acid, form gelatinous precipitates or "sludges" in ammonium polyphosphate at pH between 5 and 7.
Other metal impurities such as copper, chromium, magnesium, and zinc form granular precipitates.
However, depending on the degree of polymerization, ammonium polyphosphate can act as a chelating agent to keep certain metal ions dissolved in solution.
Ammonium polyphosphate is used as a food additive, emulsifier, (E number: E545) and as a fertilizer.

Ammonium polyphosphate is also used as a flame retardant in many applications such as paints and coatings, and in a variety of polymers: the most important ones are polyolefins, and particularly polypropylene, where APP is part of intumescent systems.
Compounding with APP-based flame retardants in polypropylene is described in.
Further applications are thermosets, where Ammonium polyphosphate is used in unsaturated polyesters and gel coats (APP blends with synergists), epoxies and polyurethane castings (intumescent systems).
Ammonium polyphosphate is also applied to flame retard polyurethane foams.

Ammonium polyphosphates used as flame retardants in polymers have long chains and a specific crystallinity (Form II).
They start to decompose at 240 °C to form ammonia and phosphoric acid.
The phosphoric acid acts as an acid catalyst in the dehydration of carbon-based poly-alcohols, such as cellulose in wood.
The phosphoric acid reacts with alcohol groups to form heat-unstable phosphate esters.
The esters decompose to release carbon dioxide and regenerate the phosphoric acid catalyst.
In the gas phase, the release of non-flammable carbon dioxide helps to dilute the oxygen of the air and flammable decomposition products of the material that is burning.
In the condensed phase, the resultant carbonaceous char helps to shield the underlying polymer from attack by oxygen and radiant heat.
Use as an intumescent is achieved when combined with starch-based materials such as pentaerythritol and melamine as expanding agents.
The mechanisms of intumescence and the mode of action of Ammonium polyphosphate are described in a series of publications.

Ammonium polyphosphate is an inorganic salt of polyphosphoric acid and ammonia containing both chains and possibly branching.
The properties of ammonium polyphosphate depend on the number of monomers in each molecule and to a degree on how often it branches.
Shorter chains (n < 100) are more water sensitive and less thermally stable than longer chains (n > 1000).
Consequently, short polymer chains and oligomers (e.g. pyro-, tripoly-, and tetrapoly-) are more soluble and show decreasing solubility with increasing chain length.

Ammonium polyphosphate is used as a flame retardant in many applications such as paints and coatings, and in a variety of polymers: the most important ones are polyolefins, and particularly polypropylene, where Ammonium polyphosphate is part of intumescent systems.
Compounding with APP-based flame retardants in polypropylene is described in.
Further applications are thermosets, where Ammonium polyphosphate is used in unsaturated polyesters and gel coats (APP blends with synergists), epoxies and polyurethane castings (intumescent systems).

Ammonium polyphosphates as used as flame retardants in polymers have long chains and a specific crystallinity (Form II).
They start to decompose at 240 °C to form ammonia and polyphosphoric acid.
The phosphoric acid acts as a catalyst in the dehydration of carbon-based poly-alcohols, such as cellulose in wood.
The phosphoric acid reacts with alcohol groups to form heat-unstable phosphate esters.
The esters decompose to release carbon dioxide and regenerate the phosphoric acid catalyst.
In the gas phase, the release of non-flammable carbon dioxide helps to dilute the oxygen of the air and flammable decomposition products of the material that is burning.

In the condensed phase, the resultant carbonaceous char helps to shield the underlying polymer from attack by oxygen and radiant heat therefore preventing the pyrolysis of the substrate.
Use as an intumescent is achieved when combined with polyalcohols such as pentaerythritol and melamine as expanding agent.
The mechanisms of intumescence and the mode of action of Ammonium polyphosphate are described in a series of publications.
Due to its uncritical toxicological and environmental profile, ammonium polyphosphate has the potential to widely substitute halogen-containing flame retardants in a series of applications like flexible and rigid PUR-foam and thermoplastics.

Ammonium polyphosphate Chemical Properties
Density: 1.74[at 20℃]
Vapor pressure: 0.076Pa at 20℃
Storage temp.: −20°C
Solubility: Aqueous Acid (Slightly)
Form: Solid
Color: White to Off-White
LogP: -2.148 (est)
CAS DataBase Reference: 68333-79-9
EPA Substance Registry System: Ammonium polyphosphates (68333-79-9)

Uses
Ammonium polyphosphate is a specialty chemical that finds many different uses in key industries.
Ammonium Polyphosphate, is an environment-friendly and halogen-free flame retardant.
Ammonium polyphosphate is the main constituent of many intumescent flame retardant systems: coatings, paints and engineering plastics.
Ammonium polyphosphate is used to prepare 20% Phosphorous/Nitrogen containing flame retardants, it can be used solely or in conjunction with other materials in the flameproof treatment for textiles, papers, fibers and woods.
Special treatment can be used to prepare 50% high concentration flameproof formulations required for special applications.

The most common ammonium polyphosphate fertilizers have a N-P2O5-K2O (nitrogen, phosphorus and potassium) composition of 10-34-0 or 11-37-0.
Polyphosphate fertilizers offer the advantage of a high nutrient content in a clear, crystal-free fluid that remains stable within a wide temperature range and stores well for long periods.
A variety of other nutrients mix well with polyphosphate fertilizers, making them excellent carriers of micronutrients typically needed by plants.

Ammonium polyphosphate is a crystalline compound that contains phosphorus pentoxide and diammonium.
Ammonium polyphosphate is used for wastewater treatment, as an additive to plastics, and in the production of paper.
Ammonium polyphosphate can be synthesized from sodium citrate and crystalline cellulose.
The synthesis process involves heating the mixture at temperatures between 300°C and 400°C.
This process will produce a solid product with the desired reactants in the correct stoichiometric ratio.
Ammonium polyphosphate has been found to have synergistic effects when combined with other chemicals, such as enzymes or water-soluble phosphates.
Studies have shown that ammonium polyphosphate improves the ability of enzymes to break down organic matter in biological systems; this may be due to its high water permeability properties.

Synonyms
10361-65-6
Phosphoric acid, ammonium salt (1:3)
68333-79-9
Ammonium phosphate, tribasic
Triammonium orthophosphate
triazanium;phosphate
Phosphoric acid, triammonium salt
UNII-2ZJF06M0I9
2ZJF06M0I9
EINECS 233-793-9
EINECS 270-200-2
68412-62-4
(NH4)3PO4
triazanium phosphate
APP (fireproofing agent)
Ammonium phosphate tribasic
DTXSID8052778
EXO 462
H3N.1/3H3O4P
ZRIUUUJAJJNDSS-UHFFFAOYSA-N
EINECS 269-789-9
H3-N.1/3H3-O4-P
Ammonium orthophosphate, superphosphate
AMMONIUM PHOSPHATE ((NH4)3PO4)
LS-192343
FT-0698825
EC 269-789-9
Ammonium Phosphate GFAA Matrix Modifier: 10% NH4H2PO4 in 2% HNO3
Pre-Mixed GFAA Matrix Modifier 3: 10 mg/mL NH4H2PO4 & 600 microg/mL Mg(NO3)2 in 2% HNO3
PEG-4
PEG-4 is a plasticizer.
PEG-4 possesses lubricity and humectant properties.
PEG-4 maintains wet-tack strength.

CAS: 25322-68-3
MF: N/A
MW: 0
EINECS: 500-038-2

PEG-4 is used in pressure sensitive and thermoplastic adhesives.
PEG-4 is a family of linear polymers formed by a base-catalyzed condensation reaction with repeating ethylene oxide units being added to ethylene.
The molecular formula is (C2H4O)multH2O where mult denotes the average number of oxyethylene groups.
The molecular weight can range from 200 to several million corresponding to the number of oxyethylene groups.
The higher-molecular-weight materials (100 000 to 5 000 000) are also referred to as polyethylene oxides.

The average molecular weight of any specific PEG-4 product falls within quite narrow limits (°5%).
The number of ethylene oxide units or their approximate molecular weight (e.g., PEG-4 or PEG-200) commonly designates the nomenclature of specific PEG-4.
PEG-4 with amolecular weight less than 600 are liquid, whereas those of molecular weight 1000 and above are solid.
These materials are nonvolatile, water-soluble, tasteless, and odorless.
They are miscible with water, alcohols, esters, ketones, aromatic solvents, and chlorinated hydrocarbons, but immiscible with alkanes, paraffins, waxes, and ethers.

PEG-4 is the product of the catalysed reaction between ethylene oxide and
water.
The polymerisation reaction is controlled so that the average molecular weight is in the range 190 – 210.
PEG-4, at room temperature, is a clear, hygroscopic liquid, which possesses a
characteristic low vapour pressure and excellent lubricity.
PEG-4 is totally soluble in water and in most organic solvents except aliphatic hydrocarbons.
At high temperatures and in the presence of air PEG-4 will undergo decomposition.
However, improved stability can be gained by the use of antioxidants.
As PEG-4 contains two terminal hydroxyl groups it can be used in polyurethane and esterification reactions.

PEG-4 Chemical Properties
Melting point: 64-66 °C
Boiling point: >250°C
Density: 1.27 g/mL at 25 °C
Vapor density: >1 (vs air)
Vapor pressure: Refractive index: n20/D 1.469
Fp: 270 °C
Storage temp.: 2-8°C
Solubility H2O: 50 mg/mL, clear, colorless
Form: waxy solid
Color: White to very pale yellow
Specific Gravity: 1.128
PH: 5.5-7.0 (25℃, 50mg/mL in H2O)
Water Solubility: Soluble in water.
Sensitive: Hygroscopic
λmax: λ: 260 nm Amax: 0.6
λ: 280 nm Amax: 0.3
Merck: 14,7568
Stability: Stable. Incompatible with strong oxidizing agents.
LogP: -0.698 at 25℃
NIST Chemistry Reference: PEG-4 (25322-68-3)
EPA Substance Registry System: PEG-4 (25322-68-3)

PEG-4 is a polymer which is hydrolyzed by ethylene oxide.
PEG-4 has no toxicity and irritation.
PEG-4 is widely used in various pharmaceutical preparations.
The toxicity of low molecular weight PEG-4 is relatively large.
In general, the toxicity of diols is very low.

Topical application of PEG-4, especially mucosal drug, can cause irritant pain.
In topical lotion, PEG-4 can increase the flexibility of the skin, and has a similar moisturizing effect with glycerin.
PEG-4 can occur in large doses of oral administration.
In injection, the maximum PEG-4 concentration is about 30% (V/V).
Hemolysis could occur when the concentration is more than 40% (V/V).

Uses
PEG-4 molecules of approximately 2000 monomers.
PEG-4 is used in various applications from industrial chemistry to biological chemistry.
Recent research has shown PEG-4 maintains the ability to aid the spinal cord injury recovery process, helping the nerve impulse conduction process in animals.
In rats, PEG-4 has been shown to aid in the repair of severed sciatic axons, helping with nerve damage recovery.
PEG-4 is industrially produced as a lubricating substance for various surfaces to reduce friction.

PEG-4 is also used in the preparation of vesicle transport systems in with application towards diagnostic procedures or drug delivery methods.
PEG-4 can be used in many applications including printing inks, ceramic and glass
production, the treatment of paper, lubricant base, fatty acid ester manufacture, textile conditioner, as a formulation aid in the detergent industry and in the production of polyurethane prepolymers.

Manufacturing Process
PEG-4 was obtained by polymerization of ethylene oxide in an autoclave at 80-100°C using as a catalyst dipotassium alcogolate of polyethylene glycol 400.
Dipotassium alcogolate of PEG-4 was synthesized by a heating of the dry mixture of PEG-4 and potassium hydroxide.
The molecular weight of polymer was regulated by the ratio of monomer:catalyst.

Biochem/physiol Actions
PEG-4 helps in the purification and crystal growth of proteins and nucleic acids.
PEG-4 also interacts with cell membrane, thereby allowing cell fusion.

Toxicity evaluation
Many years of human experience in the workplace and in the use of consumer products containing PEG-4 have not shown any adverse health effects, except in situations where very high doses are administered to hypersusceptible individuals or persons with underlying diseases.

Synonyms
1,2-ethanediol,homopolymer
2-ethanediyl),.alpha.-hydro-.omega.-hydroxy-Poly(oxy-1)
Alcox E 160
Alcox E 30
alcoxe30
Poly(ethylene oxide),approx. M.W. 600,000
Poly(ethylene oxide),approx. M.W. 200,000
Poly(ethylene oxide),approx. M.W. 900,000
TYLOSE H 20 P2
Tylose H 20 P2, another nonproteinaceous colloid, is a complex mixture of ethoxylated amylopectins ranging in molecular weight from 10 to 1,000 kDa (average molecular weight, ~450 kDa).
When infused as a 6% solution, Tylose H 20 P2 approximates the activity of human albumin.
The larger molecular weights, however, increase Tylose H 20 P2's intravascular residence time as well as its plasma expansion effects relative to albumin.

CAS: 9004-62-0
MF: C29H52O21
EINECS: 618-387-5

Tylose H 20 P2 acts as a thickening and stabilizing agent.
Tylose H 20 P2 is a nonionic cellulose ether with delayed solubility to ensure a lump free solution in aqueous systems.
Tylose H 20 P2 exhibits high compatibility with other raw materials such as surfactant.
Tylose H 20 P2 is used in hair colorants, body lotion, liquid foundation and sun care products.
Tylose H 20 P2 is synthetically produced, so it is degraded more slowly and is less antigenic than other colloids.
Despite these advantages, Tylose H 20 P2 is quite expensive and also has no oxygen-carrying capacity.
A starch derivative containing 90% amylopectin.
Non-ionic water soluble polymer.
Aqueous solutions are pseudoplastic.
Readily disperses without lumping.

Tylose H 20 P2 is primarily used in ophthalmic and topical pharmaceutical formulations.
Tylose H 20 P2 is generally regarded as an essentially nontoxic and nonirritant material.
Acute and subacute oral toxicity studies in rats have shown no toxic effects attributable to Tylose H 20 P2 consumption, the hydroxyethyl cellulose being neither absorbed nor hydrolyzed in the rat gastrointestinal tract.
However, although used in oral pharmaceutical formulations, Tylose H 20 P2 has not been approved for direct use in food products.

Tylose H 20 P2 is not recommended for use in oral pharmaceutical formulations or topical preparations that may be used on mucous membranes.
Tylose H 20 P2 is also not recommended for use in parenteral products.
Tylose H 20 P2 powder is a stable though hygroscopic material.
Aqueous solutions of Tylose H 20 P2 are relatively stable at pH 2–12 with the viscosity of solutions being largely unaffected.
However, solutions are less stable below pH 5 owing to hydrolysis.
At high pH, oxidation may occur.
Increasing the temperature reduces the viscosity of aqueous Tylose H 20 P2 solutions. However, on cooling, the original viscosity is restored.

Solutions may be subjected to freeze–thawing, high-temperature storage, or boiling without precipitation or gelation occurring.
Tylose H 20 P2 is subject to enzymatic degradation, with consequent loss in viscosity of its solutions.
Enzymes that catalyze this degradation are produced by many bacteria and fungi present in the environment.
For prolonged storage, an antimicrobial preservative should therefore be added to aqueous solutions.
Aqueous solutions of Tylose H 20 P2 may also be sterilized by autoclaving.
Tylose H 20 P2 powder should be stored in a well-closed container, in a cool, dry place.

Tylose H 20 P2 is insoluble in most organic solvents.
Tylose H 20 P2 is incompatible with zein and partially compatible with the following water-soluble compounds: casein; gelatin; methylcellulose; polyvinyl alcohol, and starch.
Tylose H 20 P2 can be used with a wide variety of watersoluble antimicrobial preservatives.
However, sodium pentachlorophenate produces an immediate increase in viscosity when added to Tylose H 20 P2 solutions.
Tylose H 20 P2 has good tolerance for dissolved electrolytes, although it may be salted out of solution when mixed with certain salt solutions.
For example, the following salt solutions will precipitate a 10% w/v solution of Cellosize WP-09 and a 2% w/v solution of Cellosize WP-4400: sodium carbonate 50% and saturated solutions of aluminum sulfate; ammonium sulfate; chromic sulfate; disodium phosphate; magnesium sulfate; potassium ferrocyanide; sodium sulfate; sodium sulfite; sodium thiosulfate; and zinc sulfate.

Tylose H 20 P2 is generally more tolerant of dissolved salts than is Natrosol 250.
Tylose H 20 P2 is also incompatible with certain fluorescent dyes or optical brighteners, and certain quaternary disinfectants which will increase the viscosity of aqueous solutions.

Tylose H 20 P2 is a gelling and thickening agent derived from cellulose.
Tylose H 20 P2 is widely used in cosmetics, cleaning solutions, and other household products.
Tylose H 20 P2 and methyl cellulose are frequently used with hydrophobic drugs in capsule formulations, to improve the drugs' dissolution in the gastrointestinal fluids.
This process is known as hydrophilization.
Tylose H 20 P2 is also used extensively in the oil and gas industry as a drilling mud additive under the name Tylose H 20 P2 as well in industrial applications, paint and coatings, ceramics, adhesives, emulsion polymerization, inks, construction, welding rods, pencils and joint fillers.

Tylose H 20 P2 can be one of the main ingredients in water-based personal lubricants.
Tylose H 20 P2 is also a key ingredient in the formation of large bubbles as it possesses the ability to dissolve in water but also provide structural strength to the soap bubble.
Among other similar chemicals, Tylose H 20 P2 is often used as slime (and gunge, in the UK).
Tylose H 20 P2 is a commonly used thickener in paint&coating formulations.
Tylose H 20 P2 is used in paint&coating formulations to increase the viscosity of the paint and to improve its flow and leveling properties.

Tylose H 20 P2 is a remarkably efficient gelling agent and is useful for adding viscosity to a wide range of skincare products.
Tylose H 20 P2 is stable across a wide pH range – typically between 3 and 10 though some loss of viscosity can occur below pH 3 and above pH 10 which may require increasing the amount of Tylose H 20 P2 slightly to compensate.
Add Tylose H 20 P2 at 0.3% 0.4% to your heated water phase before combining with the oil phase to increase the viscosity of your emulsions and to aid the stability of the emulsion.
According to the manufacturer of this product, Tylose H 20 P2 is a co-emulsifier so certainly will strengthen the stability of your emulsion.
Tylose H 20 P2 creates crystal clear gels with good suspension properties so can be used as the base for serums (works well with pretty much every water soluble active ingredient – including the sometimes difficult to work with aloe vera, alpha hydroxy acids etc).
Tylose H 20 P2 gels can be used as the basis for salt and sugar scrubs (keep below 20% salt crystals (it may be necessary to increase the concentration of HEC).

Tylose H 20 P2 is a non-ionic, water-soluble cellulose derivative produced by introduction of ethylene oxide groups to the hydroxyl groups of the cellulose backbone.
Tylose H 20 P2 is useful as a water thickener, rheological control additive, protective colloid, binder, stabilizer, suspending agent and film former.
Tylose H 20 P2 is used in many industrial applications including latex paints, emulsion polymerization, petroleum, paper, pharmaceuticals, cosmetics and many other applications.

Tylose H 20 P2 Chemical Properties
Melting point: 288-290 °C (dec.)
Density: 0.75 g/mL at 25 °C(lit.)
Storage temp.: 2-8°C
Solubility H2O: ≤5 wt. % at 20 °C
Form: powder
Color: Light brown powder
Odor: Odorless
PH: pH(20g/l,25℃) : 5.0~8.0
Water Solubility: almost transparency
Merck: 14,4673
Stability: Stable. Incompatible with strong oxidizing agents, acid chlorides, acid anhydrides
InChI: InChI=1S/C29H52O21/c1-10-15(34)16(35)24(13(8-33)45-10)49-28-20(39)18(37)25(50-29-26(43-5-4-30)21(40)23(42-3)12(7-32)47-29)14(48-28)9-44-27-19(38)17(36)22(41-2)11(6-31)46-27/h10-40H,4-9H2,1-3H3
InChIKey: CWSZBVAUYPTXTG-UHFFFAOYSA-N
CAS DataBase Reference: 9004-62-0 (CAS DataBase Reference)
EPA Substance Registry System: Tylose H 20 P2 (9004-62-0)

Tylose H 20 P2 is white to yellowish fibrous or powdery solid, non-toxic, tasteless and soluble in water.
Insoluble in common organic solvents.
Having properties such as thickening, suspending, adhesive, emulsifying, dispersing, water holding.
Different viscosity range of solution can be prepared.
Having exceptionally good salt solubility to electrolyte.
Tylose H 20 P2 occurs as a white, yellowish-white or grayish-white, odorless and tasteless, hygroscopic powder.
Tylose H 20 P2 is soluble in hot or cold water, and does not precipitate at high temperature or boiling, so it has a wide range of solubility and viscosity characteristics, as well as non-thermal gelling properties.

Tylose H 20 P2 is a non-ionic polymer material , can coexist with a wide range of other water-soluble polymers, surfactants, and salts, and is an excellent colloidal thickener for high-concentration dielectric solutions.
The water retention capacity of Tylose H 20 P2 is twice that of methyl cellulose, and it has better flow regulation; the dispersing ability of Tylose H 20 P2 is comparable to that of methyl cellulose and hydroxypropyl methyl cellulose.
The specific dispersing ability is the worst, but the protective colloid ability is the strongest.

Tylose H 20 P2 is a water soluble, white powder often used as a stabiliser and thickener in products like creams, lotions and shampoos.
Tylose H 20 P2 is produced from natural cellulose which is sourced from cotton.
Tylose H 20 P2 doesn’t have any direct skin benefits but it helps the product work more effectively.
Because Tylose H 20 P2 is a stabiliser, it helps hold emulsions together.
Tylose H 20 P2 is also used as a thickening agent to create the desired texture and consistency for creams or lotions.
Tylose H 20 P2 also creates a film over the skin, which allows the product to create a smooth and continuous layer across the skin.
This leaves the skin feeling silkier and softer.

Thickeners and Binders
Tylose H 20 P2 is a commonly used cellulose ethers organic water-based ink thickening agent, belongs to a water-soluble non-ionic compound, with good water thickening ability, degraded by oxygen, acid and enzyme, under alkaline conditions can be crosslinked by Cu2+.
Has thermal stability, when heated, does not appear gelation, does not occur precipitation under acidic conditions, the film-forming property is good, the aqueous solution can be made of a transparent film, can be derived from the reaction of alkali cellulose with ethylene oxide, having properties such as thickening, emulsifying, adhesive, suspension, film-forming, maintaining moisture and protectiving colloid.
The role of thickener in the aqueous ink is thickened.

The viscosity of the ink added a thickening agent increases, can improve the physical and chemical stability of the ink; due to the increased viscosity, rheology of the ink can be controlled at the time of printing; the pigment and filler in ink is not easy to precipitate, increasing the storage stability of the water-based ink.
Thickening agent is a cellulose-based material and (or) polyvinyl alcohol substances. Cellulose substances may be methyl cellulose, ethyl cellulose, hydroxymethyl cellulose, carboxymethyl cellulose, hydroxypropyl cellulose, Hydroxyethyl cellulose and hydroxypropylmethyl cellulose; polyvinyl alcohol material may be an or several species of polyethylene 400, 600, 800, 1000, 1600, 2000, 4000, 6000.

Uses
1. Tylose H 20 P2 is used for cracking method to extract polymerized dispersing agents such as oil water base gel fracturing fluid, polystyrene and polyvinyl chloride.
Also for latex thickening agent in paint industry, hygristor in electronics industry, cement anti-coagulant agent and water retention agent in construction industry.
Glazing in ceramic industry and toothpaste binder.
Also widely used in many aspects such as printing and dyeing, textile, paper, pharmaceutical, health, food, cigarettes, pesticides and fire extinguishing agent.

2. Tylose H 20 P2 used as a water-based drilling fluids, and thickening agent and filtrate reducer of completion fluids, thickening agent has obvious effect on brine drilling fluid.
Also can be used for filtrate reducer of oil well cement.
Cross-linking with the polyvalent metal ions into a gel.

3. As surfactants, protective colloids, emulsion stabilizers in combination with emulsion such as vinyl chloride, vinyl acetate emulsion, and a tackifier, dispersant, dispersion stabilizer of emulsion.
Widely used in many aspects such as coatings, fibers, dyeing, paper, cosmetics, pharmaceuticals, pesticides.
There are many uses in oil exploitation and machinery industry.

4. As surfactants, latex thickening agent, protective colloid, oil exploitation fracturing fluid and polystyrene and polyvinyl chloride dispersing agents, etc.
Thickener, protective colloid, binder, stabilizer and suspending agent.
Tylose H 20 P2 is a thickener, protective colloid, binder, stabilizer, and suspending agent.
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Due to electronic rights, some third party content may be suppressed from the eBook and/or eChapter(s).
Editorial Review has deemed that any suppressed content does not materially affect the overall learning experience.
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Pharmaceutical Applications
Tylose H 20 P2 is a nonionic, water-soluble polymer widely used in pharmaceutical formulations.
Tylose H 20 P2 is primarily used as a thickening agent in ophthalmic and topical formulations, although it is also used as a binder and film-coating agent for tablets.
Tylose H 20 P2 is present in lubricant preparations for dry eye, contact lens care, and dry mouth.
The concentration of Tylose H 20 P2 used in a formulation is dependent upon the solvent and the molecular weight of the grade.
Tylose H 20 P2 is also widely used in cosmetics.

Production Methods
1. Alkali cellulose is a natural polymer, each of a fiber-based ring contains three hydroxyl groups, the most active hydroxyl reaction to give Tylose H 20 P2.
The raw material cotton linter or refined pulp meal were immersed in 30% liquid caustic soda, took out to squeeze after half an hour.
Squeezed water containing soda to 1: 2.8, pulverized.
Pulverized alkali cellulose was added into the reaction kettle, sealed, vacuumized, nitrogen charge, repeated to vacuumize and nitrogen charge to replace atmosphere in the reaction kettle.

Precooled the liquid ethylene oxide was pressed into, cooling water was pumped in jacket of reaction kettle, controlled at about 25 ℃ and reacted for 2 h, crude product of Tylose H 20 P2 was obtained.
The crude product was washed with alcohol, added acetic acid to adjust pH value to 4-6, added glyoxal to crosslink and aging.
Then washed with water, centrifugal dewatering, dryed, milled to obtain Tylose H 20 P2.
Raw material consumption (kg/t) linter or low pulp meal 730-780 liquid caustic soda (30%) 2400 ethylene oxide 900 alcohol (95%) 4500 acetic acid 240 Glyoxal (40%) 100-300.

2. The raw material cotton linter or refined pulp meal were immersed in 30% liquid caustic soda, after half an hour took out to squeeze.
Squeezed water containing soda to 1: 2.8, pulverized alkali cellulose was added into the reaction kettle, sealed and vacuumized, nitrogen charge, used nitrogen to replace all atmosphere in the reaction kettle,Precooled the liquid ethylene oxide was pressed into.
In the cooling, controlled at 25 ℃ and reacted for 2 h, to give the crude product of crude Tylose H 20 P2.
The crude product was washed with ethanol and acetic acid was added to adjust the pH value to 4-6. added glyoxal to crosslink and aging, washed with water fast, finally centrifugal dehydration, dried, milled, obtained low salt Hydroxyethyl cellulose.

A purified form of cellulose is reacted with sodium hydroxide to produce a swollen alkali cellulose, which is chemically more reactive than untreated cellulose.
The alkali cellulose is then reacted with ethylene oxide to produce a series of Tylose H 20 P2 ethers.
The manner in which ethylene oxide is added to cellulose can be described by two terms, the degree of substitution (DS) and the molar substitution (MS).
The DS designates the average number of hydroxyl positions on the anhydroglucose unit that have been reacted with ethylene oxide.
Since each anhydroglucose unit of the cellulose molecule has three hydroxyl groups, the maximum value for DS is 3. MS is defined as the average number of ethylene oxide molecules that have reacted with each anhydroglucose unit.
Once a hydroxyethyl group is attached to each unit, it can further react with additional groups in an end-to-end formation.
This reaction can continue and there is no theoretical limit for MS.

Preparation
Tylose H 20 P2 is prepared from alkali cellulose and ethylene oxide.
Tylose H 20 P2 may be noted that the hydroxyethyl group itself can react with ethylene oxide so that side-chains of varying length may be present in the product.
Commercial materials generally contain between 1.4 and 2.0 ethylene oxide residues per glucose residue and have a degree of substitution of about 0.8-1.0.

Toxicology
Considered to be non toxic.
Use as a food additive indicates good tolerance of small amounts, but excessive amounts or overuse may bring irritant and /or harmful effects.
Polysaccharides are not substantially absorbed from the gastrointestinal tract but may produce a laxative effect.

Synonyms
Hydroxyethyl cellulose
9004-62-0
Cellulose, 2-hydroxyethyl ether
5-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-[4-hydroxy-3-(2-hydroxyethoxy)-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol
2-Hydroxyethyl cellulose
Hydroxyethyl-cellulose
SCHEMBL23306563
DTXSID60873934
FT-0627136
H11622
2-Hydroxyethyl cellulose; Cellulose hydroxyethyl ether
2-O-(2-Hydroxyethyl)-4-O-methylhexopyranosyl-(1->4)-[4-O-methylhexopyranosyl-(1->6)]hexopyranosyl-(1->5)-2,6-anhydro-1-deoxyheptitol
2-hydroxyethylcelluloseether
ah15
aw15(polysaccharide)
aw15[polysaccharide]
bl15;cellosize
The blood coHydroxyethyl cellulose etherngeals the appearance board
5-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-[4-hydroxy-3-(2-hydroxyethoxy)-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol
​POLYMALEIC ACID
​​​Polymaleic acid is a maleic acid homo polymer, with obvious threshold inhibition and crystal modification, and average molecular weight around 1000.
​Polymaleic acid is a polycarboxylic acid type organic compound, which is resistant to high temperature and can chelate calcium, magnesium, iron, etc. in water.
Good thermal stability, use PH range, wide water hardness, is an excellent scale inhibitor.

CAS Number: 26099-09-2
EC Number: 607-861-7
Molecular Formula: C4H4O4;HOOCCH=CHCOOH;C4H4O4
Molecular Weight: 116.07g/mol

Polymaleic acid is the homopolymer of Maleic acid.
​​Polymaleic acid is a very efficient calcium carbonate antiscalant showing excellent performance in high temperature as well as high alkaline cooling water systems.

​​Polymaleic acid is stable in presence of chlorine or other oxidizing biocides.
Due to ​​Polymaleic acid good scale inhibition and high temperature tolerance properties, ​Polymaleic acid is used in water desalination plants.
​​Polymaleic acid does also perform as corrosion inhibitor when being combined with zinc salts.

​Polymaleic acid is a maleic acid homo polymer, with obvious threshold inhibition and crystal modification, and average molecular weight around 1000.
​​Polymaleic acid is the superior calcium carbonate inhibitor in high hardness, high alkalinity, and high temperature severe water conditions and a multifunctional formulation support agent in industrial water systems and other related applications.

​Polymaleic acid is widely used in desalination plant of flash vaporization equipment, low pressure boiler, steam locomotive, crude oil evaporation, petroleum pipeline, and industrial circulating cool water systems.

​Polymaleic acid has better performance when combined with phosphonates than when phosphonates used alone.
​Polymaleic acid is compatible with quaternary ammonium compounds, while not affected by chlorine or other oxidizing biocides under normal use conditions.

​Polymaleic acid is a polycarboxylic acid type organic compound, which is resistant to high temperature and can chelate calcium, magnesium, iron, etc. in water.
Good thermal stability, use PH range, wide water hardness, is an excellent scale inhibitor.

​Polymaleic acid, as a low-cost and excellent green water treatment agent, has become an important member of high-efficiency water-soluble scale inhibitor and dispersant.
Especially under harsh environmental conditions such as high temperature, high pH value, high alkalinity, high hardness, etc., ​Polymaleic acid has a significant scale inhibition effect on calcium carbonate, calcium sulfate, etc., which is not general polypropylene acids and other organic copolymerization The dispersant can reach.
At the same time, ​Polymaleic acid has low toxicity, no carcinogenic and teratogenic effects, and is often used as a water treatment agent for circulating cooling water, low-pressure boiler water, and anti-scaling treatment for oilfield water injection, crude oil dehydration and other systems.

​Polymaleic acid is a polyelectrolyte, also known as anti-scale agent H-1, ​Polymaleic acid, which is produced by maleic anhydride Polyhydrolysis or hydrolysis polymerization.
​​Polymaleic acid is a brown-red viscous liquid at room temperature.

Easily soluble in water, each carbon atom on the polymer chain has a high potential charge.
Therefore, ​​Polymaleic acid polyelectrolyte properties are different from polyacrylic acid or polymethacrylic acid.

When dropping with LiOH, NaOH, KOH or (CH3)4NOH, only half of the carboxyl group of the total acid is neutralized, and the properties are different from polyacrylic acid or polymethacrylic acid.
When LiOH, NaOH, KOH or (CH3)4NOH curve is used, there is only one jump at the half-sum point.

Therefore, in terms of potentiometric titration, ​Polymaleic acid is often regarded as a unit acid.
​Polymaleic acid and maleic acid-acrylic acid copolymers can be used to treat calcium carbonate and calcium phosphate powders.

The surface modification of calcium carbonate can improve the stability of calcium carbonate in organic or inorganic phase (system), improve the dispersibility of these powders in solution, and prevent the agglomeration of particles.
​​Polymaleic acid is prepared by polymerization and hydrolysis of maleic anhydride under the action of a catalyst.
​​Polymaleic acid is mainly used for scale and corrosion inhibition of steam locomotive boilers, industrial low-pressure boilers, internal combustion engine cooling water systems, seawater desalination, seawater potassium extraction, heat exchange systems, oil field oil pipelines and tank return systems.

​Polymaleic acid is a drug that inhibits the activity of maleate, hydrogen tartrate, and benzalkonium chloride.
​​Polymaleic acid is used as an active inhibitor in the treatment of infectious diseases caused by bacteria.

​Polymaleic acid has been shown to be effective against both Gram-positive and Gram-negative bacteria.
The long-term toxicity studies on rats have shown no evidence of carcinogenicity or other adverse effects.
​Polymaleic acid has also been shown to bind to the rate constant for polymerase chain reactions, which may result in inhibition of bacterial growth.

​Polymaleic acid is the homopolymer of maleic acid.
​​Polymaleic acid is very stable in presence of chlorine and other oxidizing biocides.

​​Polymaleic acid has good scale inhibition and high temperature resistance properties.
Therefore, ​​Polymaleic acid can be used in the water desalination plants.

​​Polymaleic acid is also an excellent calcium carbonate antiscalant upon high temperature and in the high alkaline cooling water systems.
In addition, ​​Polymaleic acid can be used in combination with zinc salts as a corrosion inhibitor.

​​Polymaleic acid can also be used as concrete additive and for crude oil evaporation.
​​Polymaleic acid can be manufactured through the polymerization of maleic anhydride I an aromatic hydrocarbon upon 60° to 200° C.

A relatively homogenous and easily synthesized polymer, ​Polymaleic acid, was studied to ascertain ​​Polymaleic acid suitability as a model compound for humic substances.
Physical and chemical properties of ​Polymaleic acid were measured by UV/VIS, Fourier-transform infrared, and 13C NMR spectroscopy, high pressure size exclusion chromatography, and elemental analyses to elucidate the structural characteristics of ​Polymaleic acid and aquatic humic substances.

In terms of size, polydispersity, elemental composition, and infrared spectra, ​Polymaleic acid most closely resembles fulvic acids derived primarily from terrestrial sources.
Molar absorptivity (measured at 280 nm) and 13C NMR spectroscopic data, however, show that ​Polymaleic acid exhibits significantly less aromaticity than fulvic materials of similar size.

In general, terrestrially derived aquatic fulvic acids possess larger percentages of aromatic carbons than either ​Polymaleic acid or the lacustrine and subsurface fulvic acids.
13C NMR spectra also show that aliphatic II and acetal carbons, present in several aquatic fulvic acids, are absent in ​Polymaleic acid.

Furthermore, the carboxyl carbon content of ​Polymaleic acid is significantly higher than that of all the humic materials used in this study.
Based on these results, ​Polymaleic acid does not resemble a unique humic substance, but rather appears to possess chemical properties common to humic materials from diverse sources.

Applications of Polymaleic acid:
Cooling water systems / industrial water treatment
Concrete additive
Water desalination
Crude oil evaporation

Uses of Polymaleic acid:
​​Polymaleic acid has high chemical stability and temperature resistance, and has obvious solubility limit effect when pH value is 8.3.
​​Polymaleic acid can chelate calcium and magnesium plasma in water and has lattice distortion ability, which can improve the fluidity of sludge.

​​Polymaleic acid is especially suitable for scale inhibition in high-temperature water systems such as boiler water.
​​Polymaleic acid can be used as oil field water pipeline, circulating cooling water system and flash seawater desalination and other sediment inhibitors, scale inhibitors, etc., can also be used as a basic industrial detergent

​​Polymaleic acid is efficient scale inhibitor.
​​Polymaleic acid is mainly used in low-pressure boilers, industrial circulating cooling water systems, oil pipeline, crude oil dehydration and flash seawater desalination and other aspects of the scale inhibitor, and can be used as the main component of advanced cleaning agents, but also can be used as textile rinsing agent, reduces the ash content of textiles.

​Polymaleic acid still has good scale inhibition and dispersion effect on carbonate below 300 ℃, and the scale inhibition time can reach COOH.
Due to the excellent scale inhibition performance and high temperature resistance of ​Polymaleic acid, ​​Polymaleic acid is widely used in the flash unit of seawater desalination and in the low pressure boiler, steam locomotive, crude oil dehydration, water transfer pipeline and industrial circulating cooling water.

In addition, ​Polymaleic acid has a certain corrosion inhibition effect, and the effect of compound with zinc salt is better, which can effectively prevent the corrosion of carbon steel.
​Polymaleic acid is usually (1~15)× 10-6 and organic phosphate compound, for circulating cooling water, oil field water injection, crude oil dehydration treatment and low pressure boiler furnace treatment, ​​Polymaleic acid has a good effect of inhibiting scale formation and stripping old scale, and the scale inhibition rate can reach 98%.

​Polymaleic acid has better performance when combined with phosphonates than when phosphonates used alone.
​Polymaleic acid is compatible with quaternary ammonium compounds, while not affected by chlorine or other oxidizing biocides under normal use conditions.

​Polymaleic acid cocoa is used for scale inhibition of industrial circulating cooling water, oil field water pipelines and boiler water.
Desalination and scale prevention of seawater by flash evaporation.
And used as an ingredient in advanced cleaning agents.

The general dosage is 1-5PPM.
​​Polymaleic acid can be used for oil field water pipelines, steam locomotive boilers, medium and low pressure boilers, seawater desalination, circulating cooling water, and scale inhibitor and dispersant.

​​Polymaleic acid can also be used as a textile cleaning agent.
General dosage 2 × 10-6~10-5.

​​Polymaleic acid is used as scale inhibitor and corrosion inhibitor in steam locomotive, industrial boiler water, cold water, and oil field water injection treatment.
​​Polymaleic acid is a high-efficiency scale inhibitor, mainly used in low-pressure boilers, industrial circulating cooling water systems, oil field water pipelines, crude oil dehydration, etc.

​​Polymaleic acid has high chemical stability and temperature resistance, and has obvious pH value when 8.3.
The solubility limit effect can chelate with calcium and magnesium plasma in water and have lattice distortion ability, which can improve the fluidity of sludge.

​​Polymaleic acid is especially suitable for scale inhibition of high warm water systems such as boiler water.
​​Polymaleic acid can be used as a sediment inhibitor, scale inhibitor, etc. for oilfield water pipelines, circulating cooling water systems, and flash evaporation seawater desalination.
​​Polymaleic acid can also be used as an alkaline industrial cleaner with.

Properties of Polymaleic acid:
​Polymaleic acid is a solvent-based maleic acid hopolymer, with obvious threshold inhibition and crystal modification, and average molecular weight around 1000.
​​Polymaleic acid is the superior calcium carbonate inhibitor in high hardness, high alkalinity, and high temperature severe water conditions and a multifunctional formulation support agent in industrial water systems and other related applications.

​Polymaleic acid is widely used in desalination plant of flash vaporization equipment, low pressure boiler, steam locomotive, crude oil evaporation, petroleum pipeline, and industrial circulating cool water systems.

Nature of Polymaleic acid:
​​Polymaleic acid is transparent liquid.
​​Polymaleic acid is soluble in water, chemical stability and high thermal stability, decomposition temperature of 330.

50% of the aqueous solution is light yellow viscous liquid, density is greater than or equal to 1.
2g/cm3,pH value is 1~2.
​Polymaleic acid is a low molecular weight polyelectrolyte, non-toxic, soluble in water, high chemical and thermal stability, decomposition temperature above 330 ℃.

Preparation Method of Polymaleic acid:
The polymerization was initiated in the presence of benzoyl peroxide with maleic anhydride as a raw material and toluene as a solvent.

Synthesis Method of Polymaleic acid:
Add a certain amount of maleic anhydride and water to a 1000m four-mouth flask equipped with thermometer, stirrer, reflux condenser and constant pressure drop funnel, and raise the temperature to 60 ℃.
After the maleic anhydride is completely dissolved, add an appropriate amount of catalyst and self-made auxiliary AXL, start the stirrer and raise the temperature to the set temperature at the same time, control a certain reaction temperature, and add the initiator within a certain period of time through a constant pressure drop funnel.
After dropping, continue the heat preservation reaction for 2h to obtain ​Polymaleic acid products.

Production Method of Polymaleic acid:
200 parts maleic anhydride, 80 parts water and one part catalyst are added into the kettle.
After heating and reflux, 100 parts of hydrogen peroxide are added dropwise at 100~120 ℃.

After the reaction, heat and reflux for 30 min to obtain a clear and transparent brown-yellow hydrolyzed product.
Using water as solvent and maleic acid rod as monomer in the presence of initiator for polymerization.
See hydrolyzed ​Polymaleic acid rod for details.

Handling and storage of Polymaleic acid:

Precautions for safe handling:
Ensure good ventilation of the work station. Avoid contact with skin and eyes.
Wear personal protective equipment.

Hygiene measures:
Do not eat, drink or smoke when using ​​Polymaleic acid.
Always wash hands after handling ​​Polymaleic acid.

Conditions for safe storage, including any incompatibilities:

Storage conditions:
Do not expose to temperatures exceeding 50 °C/ 122 °F.
Protect from sunlight.

Store in original container or corrosive resistant and/or lined container.
Store in corrosive resistant container with a resistant inner liner.

Keep only in original container.
Store in a well-ventilated place.
Keep cool.

Incompatible materials:
Metals.

Shelf Life of Polymaleic acid:
Under proper storage conditions, the shelf life is 12 months

Stability and reactivity of Polymaleic acid:

Reactivity:
​​Polymaleic acid is non-reactive under normal conditions of use, storage and transport.

Chemical stability:
Stable under normal conditions.

Possibility of hazardous reactions:
No dangerous reactions known under normal conditions of use.

Conditions to avoid:
None under recommended storage and handling conditions.

Incompatible materials:
Strong bases.
Oxidizing agent.
May be corrosive to metals. metals.

Hazardous decomposition products:
Under normal conditions of storage and use, hazardous decomposition products should not be produced.

First Aid Measures of Polymaleic acid:

After inhalation:
Remove person to fresh air and keep comfortable for breathing.

After skin contact:
Wash skin with plenty of water.

After eye contact:
Rinse cautiously with water for several minutes.
Remove contact lenses, if present and easy to do.
Continue rinsing.

If eye irritation persists:
Get medical advice/attention.

After ingestion:
Call a poison center/doctor/physician if you feel unwell.

Most important symptoms and effects (acute and delayed):

Symptoms/effects after eye contact:
Eye irritation.

Immediate medical attention and special treatment, if necessary:
Treat symptomatically.

Fire-fighting Measures of Polymaleic acid:

Suitable extinguishing media:
Water spray.
Dry powder.

Foam.
Carbon dioxide.

Specific hazards arising from the chemical:

Reactivity:
​​Polymaleic acid is non-reactive under normal conditions of use, storage and transport.

Special protective equipment and precautions for fire-fighters:

Protection during firefighting:
Do not attempt to take action without suitable protective equipment.
Self-contained breathing apparatus.
Complete protective clothing.

Accidental release measures of Polymaleic acid:

Personal precautions, protective equipment and emergency procedures:

Emergency procedures:
Ventilate spillage area.
Avoid contact with skin and eyes.

Protective equipment:
Do not attempt to take action without suitable protective equipment.

Environmental precautions
Avoid release to the environment.

Methods and material for containment and cleaning up:

Methods for cleaning up:
Take up liquid spill into absorbent material.

Other information:
Dispose of materials or solid residues at an authorized site.

Identifiers of Polymaleic acid:
CAS No.:26099-09-2
Chemical Name: ​Polymaleic acid
CBNumber: CB5491823
Molecular Formula: C4H4O4
Molecular Weight: 116.07
MDL Number: MFCD00284278

Formula: (C4H4O4)n
CAS No.: 26099-09-2
EC No.: n/a

CAS No: [26099-09-2]
Product Code: FP45020
MDL No: MFCD00284278
Chemical Formula: (C4H4O4)n
Smiles: C(=C\C(=O)O)\C(=O)O
Density: 1.23 g/cm3
Flash Point: 100 °C
Storage: store at 10°C - 25°C, close container well
UN Number: UN3265
Pack Group: II
Class: 8

EC / List no.: 607-861-7
CAS no.: 26099-09-2

Properties of Polymaleic acid:
Density: 1.18 (48% aq.)
Flash point: 95 °C
storage temp.: 2-8°C

Molecular Formula: C4H4O4;HOOCCH=CHCOOH;C4H4O4
Molecular Weight: 116.07g/mol
Rotatable Bond Count: 2
Exact Mass: 116.010959g/mol
Monoisotopic Mass: 116.010959g/mol
Heavy Atom Count: 8
Complexity: 119
Covalently-Bonded Unit Count: 1
Color/Form: Monoclinic prisms from water; White crystals from water, alcohol and benzene; Colorless crystals
Odor: Faint acidulous odor
Boiling Point: 275 °F at 760 mm Hg (decomposes) (NTP, 1992)

Molecular Formula: C4H4O4
Molar Mass: 116.07
Density: 1.18 (48% aq.)
Flash Point: 95 °C
Storage Condition: 2-8°C

Specifications of Polymaleic acid:
Appearance: Amber liquid
Solid content %: 48-52
pH (as it): 2.0 max
Density (20℃, g/cm3 ): 1.16-1.22

Related Products of Polymaleic acid:
Dimethyl 2-Hydroxyisophthalate
2,6-Dimethyl-4-hydroxypyridine
1-(1,1-Dimethylethoxy)-N,N,N',N'-tetramethyl-methanediamine
(contains Tris(dimethylamino) Methane and N,N- Dimethylformamide Di-tert-butyl Acetal) (Technical Grade)
(E)-6,6-Dimethylhept-2-en-4-yn-1-ol
Dimethyl Chlorothiophosphate

Names of Polymaleic acid:

Regulatory process names:
2-Butenedioic acid (2Z)-, homopolymer

IUPAC names:
(2R,3R)-2,3-dimethylbutanedioic acid
2-Butenedioic acid (2Z)-, homopolymer
2‐Butenedioic acid (2Z)‐, homopolymer
ACIDO POLIMALEICO
Hydrolyzed Polymaleic Anhydride
POLY(MALEIC ACID)
Poly(maleic acid)
poly(maleic acid)
​Polymaleic acid
​Polymaleic acid
​Polymaleic acid

Other names:
HPMA
Hydrolyzed Polymaleic Anhydride
Hydrolyzed Polymaleic Anhydride (HPMA)
MONOPOTASSIUM PHOSPHITE

Other identifier:
26099-09-2

Synonyms of Polymaleic acid:
2-Butenedioic acid (2Z)-, homopolymer
2-Butenedioic acid (Z)-, homopolymer
Accent T 1107
Acumer 4200
Aron A 6510
Bel 200 premix
Belclene 200
Belclene 200LA
Belclene 710
Dequest P 9000
Dp 3328
Hpma
Hydrolized polymaleic anhydride
Hydrolysed Polymaleic Anhydride
Hydrolyzed Polymaleic Anhydride
Maleic acid homopolymer
Maleic acid polymer
Maleic acid, polymers
Nonpol PMA 50W
Nonpol PWA 50W
​Polymaleic acid
PolymaleicacidAq
Sh 150
HPMA
​Polymaleic acid
PolymaleicacidAq
Poly(maleic acid)
POLY(MALEIC ACID)
MALEIC ACID POLYMER
Maleic Acdi ( homopolymer )
Hydrolysed Polymaleic Anhydride
Hydrolized polymaleic anhydride
Hydrolyzed Polymaleic Anhydride
hydrolyzed polymaleic anhydride
(z)-2-butenedioic acid homopolymer
(DIETHYLAMINO)ETHANOL
DESCRIPTION:
(DIETHYLAMINO)ETHANOL (DEEA) is a tertiary alkanolamine multi-component aqueous solvent.
(DIETHYLAMINO)ETHANOL has a high chemical stability and resistance against degradation.
(DIETHYLAMINO)ETHANOL is used to prepare quaternary ammonium salts.
These salts are widely used as phase transfer catalysts to promote reactions between immiscible phases.

CAS Number: 100-37-8
EC Number: 202-845-2
Linear Formula:(C2H5)2NCH2CH2OH

SYNONYM(S) OF (DIETHYLAMINO)ETHANOL:
(DIETHYLAMINO)ETHANOL, DEAE, DEEA (DIETHYLAMINO)ETHANOL,(DIETHYLAMINO)ETHANOL,(DIETHYLAMINO)ETHANOL,N,N-Diethyl-2-aminoethanol,(DIETHYLAMINO)ETHANOL,Diethyl(2-hydroxyethyl)amine,(2-Hydroxyethyl)diethylamine,2-Diethylaminoethyl alcohol,2-Hydroxytriethylamine,(DIETHYLAMINO)ETHANOL,2-HYDROXYTRIETHYLAMINE,BETA-DIETHYLAMINOETHYL ALCOHOL,DIETHYL ETHANOLAMINE,DIETHYLAMINO-2 ETHANOL,(DIETHYLAMINO)ETHANOL,DIETHYLETHANOLAMINE,DIETHYLETHANOLAMINE (DEEA),(DIETHYLAMINO)ETHANOL,(DIETHYLAMINO)ETHANOL,N,N-DIETHYL-2-AMINOETHANOL,N,N-(DIETHYLAMINO)ETHANOL,(DIETHYLAMINO)ETHANOL,(DIETHYLAMINO)ETHANOL,2-(dimethylamino)ethanol hydrochloride,2-(N,N-dimethylamino)ethanol hydrochloride,(DIETHYLAMINO)ETHANOL,(DIETHYLAMINO)ETHANOL hydrochloride,(DIETHYLAMINO)ETHANOL hydrochloride, 14C-labeled,(DIETHYLAMINO)ETHANOL sulfate (2:1),(DIETHYLAMINO)ETHANOL tartrate,(DIETHYLAMINO)ETHANOL, sodium salt,DEAE,deanol hydrochloride,(DIETHYLAMINO)ETHANOL,diethylethanolamine,ethanol, 2-(dimethylamino)-, hydrochloride (1:1),ethanol, 2-dimethylamino-, hydrochloride,(DIETHYLAMINO)ETHANOL,(DIETHYLAMINO)ETHANOL,(DIETHYLAMINO)ETHANOL,(DIETHYLAMINO)ETHANOL,100-37-8,(DIETHYLAMINO)ETHANOL,Diethylethanolamine,DEAE,(Diethylamino)ethanol,(DIETHYLAMINO)ETHANOL,N,N-Diethyl-2-aminoethanol,(2-Hydroxyethyl)diethylamine,Diethyl(2-hydroxyethyl)amine,2-(Diethylamino)Ethan-1-Ol,Diethylmonoethanolamine,2-Hydroxytriethylamine,Pennad 150,Diaethylaminoaethanol,2-(N,N-Diethylamino)ethanol,N,N-Diethylmonoethanolamine,N,N-Diethyl-2-hydroxyethylamine,beta-(DIETHYLAMINO)ETHANOL,beta-Hydroxytriethylamine,2-(Diethylamino)ethyl alcohol,Diethylamino ethanol,N-(DIETHYLAMINO)ETHANOL,2-N-(DIETHYLAMINO)ETHANOL,diethyl ethanolamine,DEEA,beta-Diethylaminoethyl alcohol,2-diethylamino-ethanol,N-(Diethylamino)ethanol,N,N-Diethyl-N-(beta-hydroxyethyl)amine,NSC 8759,N,N-(DIETHYLAMINO)ETHANOL,2-(diethylamino)-ethanol,2-N-(Diethylamino)ethanol,.beta.-(Diethylamino)ethanol,ETHANOL,2-DIETHYLAMINO,S6DL4M053U,beta-(Diethylamino)ethyl alcohol,DTXSID5021837,CHEBI:52153,.beta.-(Diethylamino)ethyl alcohol
NSC-8759,N,N-Diethyl-N-(.beta.-hydroxyethyl)amine,DTXCID401837,ethane, 1-diethylamino-2-hydroxy-,CAS-100-37-8,Diaethylaminoaethanol [German],CCRIS 4793,HSDB 329,EINECS 202-845-2,UN2686,UNII-S6DL4M053U,-diethylamino,AI3-16309,2-Diethylamino,Diathylaminoathanol,Diethylamlnoethanol,MFCD00002850,N, N-Diethylethanolamine,beta-(Diethylamino)ethanol,N,N-diethyl ethanol amine,(DIETHYLAMINO)ETHANOL [UN2686] [Corrosive],.beta.-Hydroxytriethylamine,EC 202-845-2,SCHEMBL3114,(DIETHYLAMINO)ETHANOL, 9CI,CHEMBL1183,Diaethylaminoaethanol(german),2-(diethylamino)-1-ethanol,MLS002174251,2-(N,N-diethylamino)-ethanol,(DIETHYLAMINO)ETHANOL, 99%,(DIETHYLAMINO)ETHANOL [HSDB],N-(beta-hydroxyethyl)diethylamine,NSC8759,HMS3039I08,(DIETHYLAMINO)ETHANOL, >=99%,(DIETHYLAMINO)ETHANOL [MART.],WLN: Q2N2 & 2,(DIETHYLAMINO)ETHANOL [WHO-DD],N-(hydroxyethyl)-N,N-diethyl amine,Tox21_201463,Tox21_300037,BBL012211,STL163552,(DIETHYLAMINO)ETHANOL [MI],(DIETHYLAMINO)ETHANOL, >=99.5%,AKOS000119883,UN 2686,NCGC00090925-01,NCGC00090925-02,NCGC00090925-03,NCGC00253920-01,NCGC00259014-01,A 22,BP-20552,SMR001261425,VS-03234,DB-012722,D0465,NS00006343,(DIETHYLAMINO)ETHANOL [UN2686] [Corrosive],D88192,(DIETHYLAMINO)ETHANOL, purum, >=99.0% (GC),Q209373,(DIETHYLAMINO)ETHANOL 100 microg/mL in Acetonitrile,J-520312,Diethyl ethanolamine (DIETHYLAMINO)ETHANOL 2-Hydroxytriethylamine,InChI=1/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H


(DIETHYLAMINO)ETHANOL appears as a colorless liquid.
(DIETHYLAMINO)ETHANOL has Flash point 103-140 °F.
(DIETHYLAMINO)ETHANOL is Less dense than water.

Vapors of (DIETHYLAMINO)ETHANOL is heavier than air.
(DIETHYLAMINO)ETHANOL Produces toxic oxides of nitrogen during combustion.
(DIETHYLAMINO)ETHANOL Causes burns to the skin, eyes and mucous membranes.

(DIETHYLAMINO)ETHANOL is a member of the class of ethanolamines that is aminoethanol in which the hydrogens of the amino group are replaced by ethyl groups.
(DIETHYLAMINO)ETHANOL is a member of ethanolamines, a tertiary amino compound and a primary alcohol.
(DIETHYLAMINO)ETHANOL is functionally related to an ethanolamine.
(DIETHYLAMINO)ETHANOL derives from a hydride of a triethylamine.


Diethylethanolamine (DEAE) is the organic compound with the molecular formula (C2H5)2NCH2CH2OH.
A colorless liquid, is used as a precursor in the production of a variety of chemical commodities such as the local anesthetic procaine.


APPLICATIONS OF (DIETHYLAMINO)ETHANOL:
(DIETHYLAMINO)ETHANOL (DEEA) can be used as a co-solvent with methyldiethanolamine (MDEA) and sulfolane to investigate the CO2 absorption and desorption behavior in aqueous solutions.
Additionally, DEAE is used to prepare N-substituted glycine derivatives and these compounds are used in the synthesis of peptides and proteins.

(DIETHYLAMINO)ETHANOL is used as a corrosion inhibitor in steam and condensate lines by neutralizing carbonic acid and scavenging oxygen.
(DIETHYLAMINO)ETHANOL reacts with 4-aminobenzoic acid to make procaine.
(DIETHYLAMINO)ETHANOL is a precursor for DEAE-cellulose resin, which is commonly used in ion exchange chromatography.
(DIETHYLAMINO)ETHANOL can decrease the surface tension of water when the temperature is increased.[3]
Solutions of (DIETHYLAMINO)ETHANOL absorb carbon dioxide (CO2).

(DIETHYLAMINO)ETHANOL can be used as a precursor chemical to procaine.
(DIETHYLAMINO)ETHANOL is used as a corrosion inhibitor in steam and condensate lines by neutralizing carbonic acid and scavenging oxygen.
(DIETHYLAMINO)ETHANOL is used for the synthesis of drugs in the pharmaceutical industry and as a catalyst for the synthesis of polymers in the chemical industry.
(DIETHYLAMINO)ETHANOL is also used as a pH stabilizer.



USE AND EMISSION SOURCES 1 2 3 4:
(DIETHYLAMINO)ETHANOL is used as an intermediate in the manufacture of emulsifying agents, specialty soaps and other chemicals for applications in:
Pharmaceutical industry
pesticides
the paper
leather products
plastics
anti-rust products
the paintings
the textile
cosmetics
surface coatings...


PREPARATION OF (DIETHYLAMINO)ETHANOL:
(DIETHYLAMINO)ETHANOL is prepared commercially by the reaction of diethylamine and ethylene oxide.[4]
(C2H5)2NH + cyclo(CH2CH2)O → (C2H5)2NCH2CH2OH
(DIETHYLAMINO)ETHANOL is also possible to prepare it by the reaction of diethylamine and ethylene chlorohydrin.[5


CHEMICAL AND PHYSICAL PROPERTIES OF (DIETHYLAMINO)ETHANOL:
vapor density
4.04 (vs air)
Quality Level
100
vapor pressure
1 mmHg ( 20 °C)
Assay
≥99.5%
expl. lim.
11.7 %
refractive index
n20/D 1.441 (lit.)
bp
161 °C (lit.)
density
0.884 g/mL at 25 °C (lit.)
SMILES string
CCN(CC)CCO
InChI
1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
InChI key
BFSVOASYOCHEOV-UHFFFAOYSA-N
Molecular Weight:
117.19
Beilstein:
741863
Chemical formula C6H15NO
Molar mass 117.192 g•mol−1
Appearance Colourless liquid
Odor Ammoniacal
Density 884 mg mL−1
Melting point −70 °C; −94 °F; 203 K[1]
Boiling point 161.1 °C; 321.9 °F; 434.2 K
Solubility in water miscible[1]
log P 0.769
Vapor pressure 100 Pa (at 20 °C)
Refractive index (nD) 1.441–1.442
CAS number 100-37-8
CE index number 603-048-00-6
CE number 202-845-2
Hill formula C₆H₁₅NO
Chemical formula (C₂H₅)₂NCH₂CH₂OH
Molar Mass 117.19 g/mol
Code SH 2922 19 52
Boiling point 163 °C (1013 hPa)
Density 0.88 g/cm3 (20 °C)
Explosion limit 0.7%(V)
Flash point 50 °C
Ignition temperature 270 °C
Fusion point -68 °C
pH value 11.5 (100 g/l, H₂O, 20 °C)
Vapor pressure 1 hPa (20 °C)
Assay (GC, area%) ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C) 0.883 - 0.885
Water (K. F.) ≤ 0.30 %
Identity (IR) passes test
Molecular Weight
117.19 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
XLogP3-AA
0.3
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Hydrogen Bond Donor Count
1
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Hydrogen Bond Acceptor Count
2
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Rotatable Bond Count
4
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Exact Mass
117.115364102 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Monoisotopic Mass
117.115364102 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Topological Polar Surface Area
23.5Ų
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Heavy Atom Count
8
Computed by PubChem
Formal Charge
0
Computed by PubChem
Complexity
43.8
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Isotope Atom Count
0
Computed by PubChem
Defined Atom Stereocenter Count
0
Computed by PubChem
Undefined Atom Stereocenter Count
0
Computed by PubChem
Defined Bond Stereocenter Count
0
Computed by PubChem
Undefined Bond Stereocenter Count
0
Computed by PubChem
Covalently-Bonded Unit Count
1
Computed by PubChem
Compound Is Canonicalized
Yes
vapor pressure
1.9 hPa ( 20 °C)
Quality Level
200
Assay
≥99.0% (GC)
form
liquid
autoignition temp.
270 °C
potency
1300 mg/kg LD50, oral (Rat)
1109 mg/kg LD50, skin (Rabbit)

expl. lim.
0.7 % (v/v)
pH
11.5 (20 °C, 100 g/L in H2O)
bp
163 °C/1013 hPa
mp
-68 °C
transition temp
flash point 51 °C
density
0.88 g/cm3 at 20 °C
storage temp.
2-30°C
InChI
1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
InChI key
BFSVOASYOCHEOV-UHFFFAOYSA-N
Storage Temperature
RT
European Com.#
202-845-2
Hazmat Ship
Check subsku for hazmat
Purity
>99%
Appearance color
Clear, colorless
Appearance form
Liquid
Molecular Formula
C6H15NO
Molecular Weight
117.19
Density
0.884 g/mL at 25°C
Melting point
-70°C
Boiling point
161°C
Solubility (@ RT)
Solubility in water: Soluble
Solubility in other solvents: Soluble in alcohol, ether and benzene
Melting Point -70°C
Density 0.883
pH 11.5
Boiling Point 161°C to 163°C
Flash Point 52°C (125°F)
Odor Amine-like
Linear Formula (CH3CH2)2NCH2CH2OH
Refractive Index 1.4415
Quantity 1000 mL
UN Number UN2686
Beilstein 741863
Sensitivity Air and light sensitive; Hygroscopic
Merck Index 14,3112
Solubility Information It is miscible in water.
Molecular Weight (g/mol) 117.192
Formula Weight 117.19
Percent Purity 99%
Chemical Name or Material (DIETHYLAMINO)ETHANOL



SAFETY INFORMATION ABOUT (DIETHYLAMINO)ETHANOL
First aid measures:
Description of first aid measures:
General advice:
Consult a physician.
Show this safety data sheet to the doctor in attendance.
Move out of dangerous area:

If inhaled:
If breathed in, move person into fresh air.
If not breathing, give artificial respiration.
Consult a physician.
In case of skin contact:
Take off contaminated clothing and shoes immediately.
Wash off with soap and plenty of water.
Consult a physician.

In case of eye contact:
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
Continue rinsing eyes during transport to hospital.

If swallowed:
Do NOT induce vomiting.
Never give anything by mouth to an unconscious person.
Rinse mouth with water.
Consult a physician.

Firefighting measures:
Extinguishing media:
Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas

Advice for firefighters:
Wear self-contained breathing apparatus for firefighting if necessary.
Accidental release measures:
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment.

Avoid breathing vapours, mist or gas.
Evacuate personnel to safe areas.

Environmental precautions:
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.

Methods and materials for containment and cleaning up:
Soak up with inert absorbent material and dispose of as hazardous waste.
Keep in suitable, closed containers for disposal.

Handling and storage:
Precautions for safe handling:
Avoid inhalation of vapour or mist.

Conditions for safe storage, including any incompatibilities:
Keep container tightly closed in a dry and well-ventilated place.
Containers which are opened must be carefully resealed and kept upright to prevent leakage.
Storage class (TRGS 510): 8A: Combustible, corrosive hazardous materials

Exposure controls/personal protection:
Control parameters:
Components with workplace control parameters
Contains no substances with occupational exposure limit values.
Exposure controls:
Appropriate engineering controls:
Handle in accordance with good industrial hygiene and safety practice.
Wash hands before breaks and at the end of workday.

Personal protective equipment:
Eye/face protection:
Tightly fitting safety goggles.
Faceshield (8-inch minimum).
Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection:
Handle with gloves.
Gloves must be inspected prior to use.
Use proper glove
removal technique (without touching glove's outer surface) to avoid skin contact with this product.
Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.

Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
It should not be construed as offering an approval for any specific use scenario.

Body Protection:
Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection:
Where risk assessment shows air-purifying respirators are appropriate use a fullface respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls.

If the respirator is the sole means of protection, use a full-face supplied air respirator.
Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.

Stability and reactivity:
Chemical stability:
Stable under recommended storage conditions.
Incompatible materials:
Strong oxidizing agents:
Hazardous decomposition products:
Hazardous decomposition products formed under fire conditions.
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas.

Disposal considerations:
Waste treatment methods:
Product:
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging:
Dispose of as unused product.



(DOWANOL DPnB) DIPROPYLENE GLYCOL n-BUTYL ETHER
(Dowanol DPnB) Dipropylene glycol n-butyl ether's molecular formula is C10H22O3.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is a colorless liquid.
(Dowanol DPnB) Dipropylene glycol n-butyl ether has an odor of ether.


CAS Number: 29911-28-2
EC Number: 249-951-5
Chemical Composition: Dipropylene glycol n-butyl ether
Structural Formula: C4H9O[CH2CH(CH3)O]2H
Linear Formula: C10H22O3



SYNONYMS:
DPNB, Dipropylene Glycol n-Butyl Ether, Dipropylene Glycol (Mono) Methyl Ether, 1-(2-Butoxy-1-methylethoxy)propan-2-ol, Dipropylene,
glycol butyl ether, Dipropylene glycol monobutyl, ether, Glycol ether dpnb, Propanol, 1(or2)-(2-butoxymethylethoxy)-, (Butoxypropoxy)propanol, Acrosolv DpnB, Arcosolv DPNB, Butyl Dipropasol, Dalpad D, Dipropylene glycolmonobutyl ether, Dipropyleneglycol butyl ether, Dowanol DPnB, Dovanol DPnB, Dipropylene glycol n-Butyl ether, Dipropylene glycol mono n-butyl ether, dipropylene glycol monobutyl ether, DPNB, dipropylene glycol mono-n-butyl ether, 1-(2-Butoxy-1-methylethoxy)-2-propanol, DOWANOL(TM) DPNB, 1-(2-butoxy-1-methyl-ethoxy)-propan-2-ol, dowanol54b, dipropylene glycol butyl ether, ARCOSOLV(R) DPNB, butyldipropasolsolvent, dipropylene glycol N-butyl ether, di(propylene, Solvenon DPnB, BUTYL PROPASOL, dowanol dpnb, 1-(2-Butoxy-1-methyl-aethoxy)-propan-2-ol, DOWANOL(R) DPnB, 1-(2-Butoxy-1-methylethoxy)-2-propanol, Dipropylene glycol monobutyl ether, Dipropylenglykolmonobutylether, Dowanol DPnB, Solvenon® DPnB, Di (Propylene Glycol) Butylether, DPNB Glycol Ether, SOLVENON DPNB, SOLVENON PNB, Dipropylene glycol n-butyl ether 98.5%, Nonionic surfactant, polypropylene glycol, Butoxypolypropylene glycol, Butoxy polypropylenglycol, Ucon Lubricant LB-385, Butyl dipropasol solvent, Dipropylene glycol butoxy ether, Dipropylene glycol monobutyl ether, Dowanol 54B, 1-(2-Butoxy-1-methylethoxy)propan-2-ol, 2-Propanol, 1-(2-butoxy-1-methylethoxy)-, 1-(1-Methyl-2-butoxy-ethoxy)-2-propanol, n-Butoxy-methylethoxy-propanol, n-Butoxy-propoxy-propanol, DPGnBE, Dipropylene glycol-n-butyl ether, Dowanol DPnB, DPnB, DPGBE, Dipropylene glycol (mono) n-butyl ether, DOWANOL DPNB glycol ether, 2-Propanol, 1-(2-butoxy-1-methoxy)-, Dipropylene glycol, butyl ether, Dipropylene glycol n-butyl ether, Dowanol DPnB, 1-(2-butoxy-1-methylethoxy)propan-2-ol, 1-(2-butoxy-1-methylethoxy)-2-propanol, ARCOSOLV(R) DPNB, BUTYL PROPASOL, DI(PROPYLENE GLYCOL) BUTYL ETHER, DIPROPYLENE GLYCOL MONOBUTYL ETHER, Dipropylene glycol mono-n-butyl ether, DIPROPYLENE GLYCOL NORMAL BUTYL ETHER, DOWANOL(TM) DPNB, DPNB, 1-(2-butoxy-1-methylethoxy)-2-propano, 1-(2-butoxy-1-methylethoxy)-2-Propanol, butyldipropasolsolvent, di(propylene, dipropyleneglycolbutoxyether, dowanol54b, 1-(2-butoxy-1-methylethoxy)propan-2-ol, DI(PROPYLENE GLYCOL) BUTYL ETHER, 99%, M IXTURE OF ISOMERS, DI(PROPYLENE GLYCOL) BUTYL ETHER, 98.5+% , MIXTURE OF ISOMERS (DOWANOL DPNB), 2-Propanol,1-(2-butoxy-1-methylethoxy)-, BUTYL PROPYLENE DIGLYCOL, 2-Propanol, 1-(2-butoxy-1-methoxy)-, Dipropylene glycol, butyl ether, Dipropylene glycol n-butyl ether, Dowanol DPnB, 1-(2-butoxy-1-methylethoxy)propan-2-ol, 1-(2-butoxy-1-methylethoxy)-2-propanol



(Dowanol DPnB) Dipropylene glycol n-butyl ether is a slow evaporating hydrophobic glycol ether with surface tension reducing and coalescing properties.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is a relatively slow-evaporating solvent that is one of the most effective coalescents in water-based latex systems.


(Dowanol DPnB) Dipropylene glycol n-butyl ether is a clear, colorless liquid with a faint odor, slow evaporation rate.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is insoluble in water.
(Dowanol DPnB) Dipropylene glycol n-butyl ether helps to condense well, is an ideal solvent for removing oil and grease stains.


(Dowanol DPnB) Dipropylene glycol n-butyl ether evaporates slowly and does not mix well with water.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is a propylene oxide-based, or P-series glycol ether, which appears as a colorless liquid with an ether-like odor.


(Dowanol DPnB) Dipropylene glycol n-butyl ether's molecular formula is C10H22O3.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is a colorless liquid.
(Dowanol DPnB) Dipropylene glycol n-butyl ether has an odor of ether.


(Dowanol DPnB) Dipropylene glycol n-butyl ether is a clear, colorless having a mild characteristic odor.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is a slow evaporating glycol ether solvent from Dow Chemicals.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is based on dipropylene glycol n-propyl ether and provides an excellent balance of hydrophilic and hydrophobic properties.


(Dowanol DPnB) Dipropylene glycol n-butyl ether is registered under the REACH Regulation and is manufactured in and / or imported to the European Economic Area, at ≥ 10 000 to < 100 000 tonnes per annum.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is a fast-evaporating, hydrophobic glycol ether with high solubility and excellent binding ability.


(Dowanol DPnB) Dipropylene glycol n-butyl ether is dipropylene glycol n-butyl ether.
(Dowanol DPnB) Dipropylene glycol n-butyl ether acts as an active solvent for solvent-based coatings, effective coalescent for lowering minimum forming film temperature in water-borne latex coatings.


(Dowanol DPnB) Dipropylene glycol n-butyl ether possesses good coupling ability.
(Dowanol DPnB) Dipropylene glycol n-butyl ether offers very good solvency and good oil solubility.
(Dowanol DPnB) Dipropylene glycol n-butyl ether exhibits good evaporation rate control and low viscosity.



USES and APPLICATIONS of (DOWANOL DPnB) DIPROPYLENE GLYCOL n-BUTYL ETHER:
(Dowanol DPnB) Dipropylene glycol n-butyl ether is for specific use only in certain applications.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is not for use in cosmetics applied to the skin.
Coating: (Dowanol DPnB) Dipropylene glycol n-butyl ether can be used as a coagulant for acrylic resin, styrene acrylic resin, vinyl polyacetate, and is one of the most effective film forming additives for many water-based coatings.


Other applications: (Dowanol DPnB) Dipropylene glycol n-butyl ether is used Agricultural products, cosmetics, electronic inks, textiles.
As it is insoluble in water, (Dowanol DPnB) Dipropylene glycol n-butyl ether is used in cleaning products.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used in perfumery in various essential oils.


(Dowanol DPnB) Dipropylene glycol n-butyl ether is used consumer use, Paint, Automotive Care, Metal processing, Detergentt.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used effective coalescent for lowering minimum film formation temperature MFFT) in water-borne latex coatings.


(Dowanol DPnB) Dipropylene glycol n-butyl ether is used active solvent for solvent-based coatings.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used chemical intermediate for the production of epoxides, acid ester derivatives, solvents, and plasticizers.


(Dowanol DPnB) Dipropylene glycol n-butyl ether is used effective solvent for water-reducible coatings.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used coupling agent and solvent in household and industrial cleaners, grease and paint removers, metal cleaners, and hard surface cleaners.


(Dowanol DPnB) Dipropylene glycol n-butyl ether is used effective coalescent for lowering minimum film formation temperature MFFT) in water-borne latex coatings.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used active solvent for solvent-based coatings.


(Dowanol DPnB) Dipropylene glycol n-butyl ether is used chemical intermediate for the production of epoxides, acid ester derivatives, solvents, and plasticizers.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used effective solvent for water-reducible coatings.


The principal end uses of (Dowanol DPnB) Dipropylene glycol n-butyl ether are industrial solvent, chemical intermediate, printing inks, paints and coatings.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used coupling agent and solvent in household and industrial cleaners, grease and paint removers, metal cleaners, and hard surface cleaners.


(Dowanol DPnB) Dipropylene glycol n-butyl ether is used effective coupling agent and efficient solvent for water-reducible coatings.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used effective coalescent in water-borne latex coatings.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used active solvent for solvent-based coatings.


(Dowanol DPnB) Dipropylene glycol n-butyl ether is used chemical intermediate for the production of epoxides, acid ester derivatives, solvents, and plasticizers.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used Water Treatment Chemicals; Textile Auxiliary Agents; Coating Auxiliary Agents; Plastic Auxiliary Agents; Petroleum Additives; Surfactants; Rubber Auxiliary Agents; Electronics Chemicals; Paper Chemicals; Leather Auxiliary Agents.


Used alone in cold metal cleaning, (Dowanol DPnB) Dipropylene glycol n-butyl ether is a good solvent for removing oils and greases.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used in surface coatings, leather, pesticides, electrical, industrial cleaners, resins, and printing inks.


(Dowanol DPnB) Dipropylene glycol n-butyl ether is used as a coupling agent (degreasers, paint removers, metal cleaners, and hard surface cleaners), coalescent (latex coatings), solvent (water-reducible coatings), and chemical intermediate (epoxides, acid ester derivatives, solvents, and plasticizers)
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used household and industrial cleaners, grease and paint removers, metal cleaners, and hard surface cleaners.


(Dowanol DPnB) Dipropylene glycol n-butyl ether is used Adhesives & Sealants, Coupling agent, Household, Industrial & Institutional Chemicals, Inks & Digital Inks, Organic Intermediates, Personal Care & Cosmetics, Plastic, Resin & Rubber, Solvents & Degreasers, Surface Coatings, Textile Auxiliaries, Coatings, Polymers, Solvents


(Dowanol DPnB) Dipropylene glycol n-butyl ether is used by consumers, by professional workers (widespread uses), in formulation or re-packing, at industrial sites and in manufacturing.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used water and solvent-based coatings.


(Dowanol DPnB) Dipropylene glycol n-butyl ether is used epoxides, acid ester derivatives, solvents, and plasticizers.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used in the following products: coating products, anti-freeze products, biocides (e.g. disinfectants, pest control products), lubricants and greases, polishes and waxes and washing & cleaning products.


Other release to the environment of (Dowanol DPnB) Dipropylene glycol n-butyl ether is likely to occur from: indoor use as processing aid and outdoor use as processing aid.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used in the following products: fuels and coating products.


Other release to the environment of (Dowanol DPnB) Dipropylene glycol n-butyl ether is likely to occur from: outdoor use as processing aid and indoor use as processing aid.
Release to the environment of (Dowanol DPnB) Dipropylene glycol n-butyl ethercan occur from industrial use: formulation of mixtures.


(Dowanol DPnB) Dipropylene glycol n-butyl ether is used in the following products: coating products, metals, plant protection products, polishes and waxes, adhesives and sealants, metal working fluids and washing & cleaning products.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used in the following areas: offshore mining.


(Dowanol DPnB) Dipropylene glycol n-butyl ether is used for the manufacture of: chemicals, food products, fabricated metal products, electrical, electronic and optical equipment and machinery and vehicles.
Release to the environment of (Dowanol DPnB) Dipropylene glycol n-butyl ether can occur from industrial use: in processing aids at industrial sites, as an intermediate step in further manufacturing of another substance (use of intermediates) and manufacturing of the substance.


Release to the environment of (Dowanol DPnB) Dipropylene glycol n-butyl ether can occur from industrial use: manufacturing of the substance and in processing aids at industrial sites.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is used in latex coatings.


-Cleaning agents uses of (Dowanol DPnB) Dipropylene glycol n-butyl ether:
(Dowanol DPnB) Dipropylene glycol n-butyl ether is suitable for cleaning agents, especially in systems requiring very low volatilization rates, such as wax removers and floor cleaners.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is a good coupling agent for grease and grease, and can be used as paint remover and animal fat remover.


-(Dowanol DPnB) Dipropylene glycol n-butyl ether is a fast evaporating type of glycol.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is suitable for formulas that need to dry quickly, such as nail polish that is free of acetone.



PROPERTIES OF (DOWANOL DPnB) DIPROPYLENE GLYCOL n-BUTYL ETHER:
(Dowanol DPnB) Dipropylene glycol n-butyl ether is a slow-evaporating, hydrophobic glycol ether with excellent surface tension-lowering ability and coalescing properties.
(Dowanol DPnB) Dipropylene glycol n-butyl ether is a relatively slow-evaporating solvent which is one of our most efficient coalescents in water-borne latex systems.

(Dowanol DPnB) Dipropylene glycol n-butyl ether combines a number of properties that contribute to very high latex film quality:
1) high polymer plasticizing efficiency,
2) large molecular size and therefore greater polymer mobility contribution,
3) strong partitioning to the polymer phase, and
4) relatively slow evaporation rate.

(Dowanol DPnB) Dipropylene glycol n-butyl ether is compatible with many different resin types.
(Dowanol DPnB) Dipropylene glycol n-butyl ether also provides excellent surface tension lowering ability, and is useful in cleaning products by itself or when blended with other products such as (Dowanol DPnB) DPM glycol ether.



INDUSTRIES OF (DOWANOL DPnB) DIPROPYLENE GLYCOL n-BUTYL ETHER:
*Adhesives
*Agriculture
*Building & Construction
*Care Chemicals
*Coatings
*Maintenance, Repair, Overhaul
*Metal Processing & Fabrication



TYPE OF (DOWANOL DPnB) DIPROPYLENE GLYCOL n-BUTYL ETHER:
*Crosslinking / Coupling / Curing Agents
*Film Forming / Coalescing Agents
*Solvents > Glycols & Glycol Ethers > Propylene Glycols



PHYSICAL and CHEMICAL PROPERTIES of (DOWANOL DPnB) DIPROPYLENE GLYCOL n-BUTYL ETHER:
IUPAC Name: 1-(1-butoxypropan-2-yloxy)propan-2-ol
Molecular Weight: 190.28 g/mol
Molecular Formula: C10H22O3
Canonical SMILES: CCCCOCC(C)OCC(C)O
InChI: InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3
InChI Key: CUVLMZNMSPJDON-UHFFFAOYSA-N
Boiling Point: >200 °C; 230 °C
Melting Point: None; turns to glass at -43 °C
Flash Point: APPROX 425 DEG (Open Cup); 111 °C c.c.
Density: 0.973-0.990; Relative density (water = 1): 0.91
Solubility: 0.24 M; In water, 1X10+3 mg/L at 30 °C; Solubility in water, g/100ml at 20 °C: 5
Autoignition Temperature: 194 °C
Color/Form: Colorless liquid

Complexity: 106
Covalently-Bonded Unit Count: 1
Decomposition: When heated to decomp it emits acrid smoke and irritating fumes.
EC Number: 249-951-5; 500-003-1
Exact Mass: 190.156895 g/mol
Formal Charge: 0
H-Bond Acceptor: 3
H-Bond Donor: 1
Heavy Atom Count: 13
ICSC Number: 1617
LogP: 1.5
Monoisotopic Mass: 190.156895 g/mol
Refractive Index: Index of refraction: 1.4400 at 20 °C/D
Rotatable Bond Count: 8

RTECS Number: UA8200000
Vapor Density: Relative vapor density (air = 1): 6.6
Vapor Pressure: 0.001 mm Hg at 30 °C; Vapor pressure, Pa at 20 °C: 6
Viscosity: 20 cSt at 20 °C /340 approximate molecular weight/
XLogP3: 1.4
Physical state: liquid
Color: colorless
Odor: No data available
Melting point/freezing point: No data available
Initial boiling point and boiling range: 222 - 232 °C - lit.
Flammability (solid, gas): No data available
Upper/lower flammability or explosive limits: No data available
Flash point: 96 °C - closed cup
Autoignition temperature: No data available
Decomposition temperature: No data available
pH: No data available

Viscosity:
Viscosity, kinematic: No data available
Viscosity, dynamic: No data available
Water solubility: No data available
Partition coefficient: n-octanol/water: No data available
Vapor pressure: No data available
Density: 0.913 g/cm³ at 25 °C - lit.
Relative density: No data available
Relative vapor density: No data available
Particle characteristics: No data available
Explosive properties: No data available
Oxidizing properties: No data available
Other safety information: No data available
Molecular Weight 190.3 g/mol
Empirical Formula C10H22O3

Appearance: Colorless
Freezing Point <-75°C (<-103°F)
Flash Point – Closed Cup 100°C (212°F)
Boiling Point @ 760mmHg 230°C (446°F)
Autoignition Temperature 189°C (372°F)
Density @ 20°C 0.91 kg/l 7.59 lb/gal
Vapor Pressure @ 20°C Evaporation Rate (nBuAc = 1) 0.006
Solubility @ 20°C (in Water) 4.5 wt%
Refractive Index @ 25°C 42
Viscosity @ 25°C 4.9 cP
Surface Tension @ 25°C 28.4 mN/m
Lower Flammability in Air 0.6% v/v
Upper Flammability in Air 20% v/v
Specific Heat @ 25°C 1.79 J/g/°C

Heat of Vaporization @ normal boiling point 252 J/g
Heat of Combustion @ 25°C 30.8 kJ/g
Boiling Point @ 760 mmHg, 1.01 ar
Flash Point (Setaflash Closed Cup Freezing Point
Vapor pressure @ 20°C — extrapolated
Specific gravity (25/25°C)
Liquid Density @ 20°C @ 25°C
Vapor Density (air = 1)
Viscosity (mm2/s @ 25°C)
Surface tension (dynes/cm or mN/m @ 20°C)
Specific heat (J/g/°C @ 25°C)
Appearance colorless liquid
Boiling point, °C At 760 mm Hg. Art. 230
Flash point, °C 100.4

Specific gravity, at 25 °C 0.910
Viscosity, MPa-s at 25 °C 4.9
Surface tension, dynes/cm at 25 °C 28.4
Auto-ignition temperature, °C 194
Vapor pressure, mmHg Art. at 20 °C 0.04
Evaporation rate (n-BuAc=100) 0.6
Molecular weight, g/mol 190.3
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 0.91300 @ 25.00 °C.
Boiling Point: 261.65 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 205.00 °F. TCC ( 96.11 °C. )
logP (o/w): 1.306 (est)
Soluble in: water, 1.727e+004 mg/L @ 25 °C (est)



FIRST AID MEASURES of (DOWANOL DPnB) DIPROPYLENE GLYCOL n-BUTYL ETHER:
-Description of first-aid measures:
*If inhaled:
After inhalation:
Fresh air.
*In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with water/ shower.
*In case of eye contact:
After eye contact:
Rinse out with plenty of water.
Remove contact lenses.
*If swallowed:
After swallowing:
Make victim drink water (two glasses at most).
Consult doctor if feeling unwell.
-Indication of any immediate medical attention and special treatment needed:
No data available



ACCIDENTAL RELEASE MEASURES of (DOWANOL DPnB) DIPROPYLENE GLYCOL n-BUTYL ETHER:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up with liquid-absorbent material.
Dispose of properly.
Clean up affected area.



FIRE FIGHTING MEASURES of (DOWANOL DPnB) DIPROPYLENE GLYCOL n-BUTYL ETHER:
-Extinguishing media:
*Suitable extinguishing media:
Foam
Carbon dioxide (CO2)
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.



EXPOSURE CONTROLS/PERSONAL PROTECTION of (DOWANOL DPnB) DIPROPYLENE GLYCOL n-BUTYL ETHER:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
Safety glasses
*Skin protection:
not required
*Respiratory protection:
Not required.
-Control of environmental exposure:
Do not let product enter drains.



HANDLING and STORAGE of (DOWANOL DPnB) DIPROPYLENE GLYCOL n-BUTYL ETHER:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.



STABILITY and REACTIVITY of (DOWANOL DPnB) DIPROPYLENE GLYCOL n-BUTYL ETHER:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature) .
-Possibility of hazardous reactions:
No data available

(HYDROXYETHYL)METHACRYLATE
DESCRIPTION:

(Hydroxyethyl)methacrylate (also known as glycol methacrylate) is the organic compound with the chemical formula H2C\dC(CH3)CO2CH2CH2OH.
(Hydroxyethyl)methacrylate is a colorless viscous liquid that readily polymerizes.
(Hydroxyethyl)methacrylate is a monomer that is used to make various polymers.

CAS Number: 868-77-9
EC Number 212-782-2
Molecular Weight: 130.14
Linear Formula: CH2=C(CH3)COOCH2CH2OH


SYNONYM(S) OF (HYDROXYETHYL)METHACRYLATE:
1,2-Ethanediol mono(2-methylpropenoate), Glycol methacrylate, HEMA,HEMA; hydroxyethylmethacrylate; glycol methacrylate; glycol monomethacrylate; hydroxyethyl methacrylate; ethylene glycol methacrylate; 2-(methacryloyloxy)ethanol,2-hydroxyethyl methacrylate,glycol methacrylate,HEMA,Historesin,hydroxyethyl methacrylate,2-HYDROXYETHYL METHACRYLATE,868-77-9,Glycol methacrylate,Hydroxyethyl methacrylate,HEMA,Glycol monomethacrylate,Ethylene glycol methacrylate,2-Hydroxyethylmethacrylate,2-(Methacryloyloxy)ethanol,2-hydroxyethyl 2-methylprop-2-enoate,Mhoromer,Methacrylic acid, 2-hydroxyethyl ester,Monomer MG-1,Ethylene glycol monomethacrylate,(hydroxyethyl)methacrylate,beta-Hydroxyethyl methacrylate,NSC 24180,2-Hydroxyethyl methylacrylate,2-Propenoic acid, 2-methyl-, 2-hydroxyethyl ester,PHEMA,CCRIS 6879,CHEBI:34288,Ethylene glycol, monomethacrylate,HSDB 5442,12676-48-1,EINECS 212-782-2,UNII-6E1I4IV47V,BRN 1071583,Monomethacrylic ether of ethylene glycol,6E1I4IV47V,DTXSID7022128,PEG-MA,1,2-Ethanediol mono(2-methyl)-2-propenoate,NSC-24180,2-hydroxyethylmethylacrylate,ethyleneglycol monomethacrylate,DTXCID202128,.beta.-Hydroxyethyl methacrylate,2-hydroxyethylmethacrylate (hema),EC 212-782-2,4-02-00-01530 (Beilstein Handbook Reference),NSC24180,2-(Hydroxyethyl)methacrylate,MFCD00002863,MFCD00081879,2-Hydroxyethyl Methacrylate (stabilized with MEHQ),Bisomer HEMA,2-Hydroxyethyl methacrylate,ophthalmic grade,hydroxyethylmethacrylate,1,2-Ethanediol mono(2-methylpropenoate),hydroxyehtyl methacrylate,hydroxylethyl methacrylate,2-hydroxyetyl methacrylate,2-HEMA,Epitope ID:117123,2-hydroxylethyl methacrylate,2-hydroxyethyl(methacrylate),SCHEMBL14886,WLN: Q2OVY1&U1,2-methacryloyloxyethyl alcohol,BIDD:ER0648,CHEMBL1730239,CHEBI:53709,2-Hydroxyethyl methacrylate, 98%,2-Hydroxyethyl 2-methylacrylate #,Tox21_200415,AKOS015899920,Methacrylic,Acid 2-Hydroxyethyl Ester,CS-W013439,DS-9647,HY-W012723,NCGC00166101-01,NCGC00166101-02,NCGC00257969-01,CAS-868-77-9,PD167321,SY279104,2-HYDROXYETHYL METHACRYLATE [HSDB],2-Hydroxyethyl methacrylate,low acid grade,1,2-Ethanediol, mono(2-methyl)-2-propenyl,2-HYDROXYETHYL METHACRYLATE [WHO-DD],M0085,NS00008941,EN300-98188,D70640,2-Hydroxyethyl methacrylate(hema),technical grade,2-Methyl-2-propenoic acid, 2-hydroxyethyl ester,Hydroxyethyl methacrylate(5.9cp(30 degrees c)),2-Propenoic acid, 2-methyl-,2-hydroxiethyl ester,A904584,Hydroxyethyl methacrylate(>200cp(25 degrees c)),Q424799,2-Hydroxyethyl Methacrylate, (stabilized with MEHQ),J-509674,2-Hydroxyethyl Methacrylate, Stabilized with 250 ppm MEHQ,2-Hydroxyethyl methacrylate, embedding medium (for microscopy),InChI=1/C6H10O3/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H,2-Hydroxyethyl methacrylate, >=99%, contains <=50 ppm monomethyl ether hydroquinone as inhibitor,2-Hydroxyethyl methacrylate, contains <=250 ppm monomethyl ether hydroquinone as inhibitor, 97%


(Hydroxyethyl)methacrylate, Normal Grade, in the form of a colorless, clear liquid, is an industrial solvent that can be used in automotive coatings and primers.
Because of its vinyl double bond, this product can copolymerize with other monomers to produce copolymers with hydroxy groups.


(Hydroxyethyl)methacrylate is an enoate ester that is the monomethacryloyl derivative of ethylene glycol.
(Hydroxyethyl)methacrylate has a role as a polymerisation monomer and an allergen.
(Hydroxyethyl)methacrylate is functionally related to an ethylene glycol and a methacrylic acid.


(Hydroxyethyl)methacrylate is a hydroxyester compound and a resin monomer used in desensitizing dentin.
By applying 2-hydroxyethyl methacrylate locally to sensitive teeth, sensitive areas in the teeth get sealed and block the dentinal tubules at the dentin surface from stimuli that cause pain.
This prevents excitation of the tooth nerve and relieves pain caused by tooth hypersensitivity.




(Hydroxyethyl)methacrylate is an ester of Methacrylic acid and is used as a raw material component in the synthesis of polymers.
(Hydroxyethyl)methacrylate forms a homopolymer and copolymers.
Copolymers of (Hydroxyethyl)methacrylate can be prepared with (meth)acrylic acid and its salts, amides, and esters, as well as (meth)acrylates, acrylonitrile, maleic acid esters, vinyl acetate, vinyl chloride, vinylidene chloride, styrene, butadiene, and other monomers.

(Hydroxyethyl)methacrylate, easily entering into the reaction of accession with a wide range of organic and inorganic substances, is used for the synthesis of organic low molecular weight substances.



Clear colorless, easily flowable liquid monomer with a pungent, sweet odor.
(Hydroxyethyl)methacrylate comprises of a polymerizable methacrylate functional group in one end and a reactive hydroxyl group at the other end.
(Hydroxyethyl)methacrylate easily dissolves in water and has relatively low volatility.

(Hydroxyethyl)methacrylate copolymerizes readily with a wide variety of monomers, and the added hydroxyl groups improve adhesion to surfaces, incorporate cross-link sites, and impart corrosion, fogging, and abrasion resistance as well as contribute to low odor, color, and volatility.





SYNTHESIS OF (HYDROXYETHYL)METHACRYLATE:
Hydroxyethylmethacrylate was first synthesized around 1925.
Common methods of synthesis are:[5]
reaction of methacrylic acid with ethylene oxide;
esterification of methacrylic acid with a large excess of ethylene glycol.

Both these methods give also some amount of ethylene glycol dimethacrylate.
During polymerization of hydroxyethylmethacrylate, it works as crosslinking agent.[5]


PROPERTIES OF (HYDROXYETHYL)METHACRYLATE:
Hydroxyethylmethacrylate is completely miscible with water and ethanol, but its polymer is practically insoluble in common solvents.
Its viscosity is 0.0701 Pa⋅s at 20°C[6] and 0.005 Pa⋅s at 30°C.[3]
During polymerization, it shrinks by approximately 6%.[6]


APPLICATIONS OF (HYDROXYETHYL)METHACRYLATE:
Contact lenses[edit]
In 1960, O. Wichterle and D. Lím[7] described its use in synthesis of hydrophilic crosslinked networks, and these results had great importance for manufacture of soft contact lenses.

Polyhydroxyethylmethacrylate is hydrophilic: it is capable of absorbing from 10 to 600% water relative to the dry weight.
Because of this property, it was one of the first materials to be used in the manufacture of soft contact lenses.

Use in 3D printing
Hydroxyethylmethacrylate lends itself well to applications in 3D printing as it cures quickly at room temperature when exposed to UV light in the presence of photoinitiators.
It may be used as a monomeric matrix in which 40nm silica particles are suspended for 3D glass printing.[9]
When combined with a suitable blowing agent such as BOC anhydride it forms a foaming resin which expands when heated.[10]

Other
In electron microscopy, later in light microscopy, hydroxyethylmethacrylate serves as an embedding medium.
When treated with polyisocyanates, polyhydroxyethylmethacrylate makes a crosslinked polymer, an acrylic resin, that is a useful component in some paints.


FEATURES & BENEFITS OF (HYDROXYETHYL)METHACRYLATE
Chemical resistance
Hydraulic stability
Flexibility
Impact resistance
Adhesion
Weatherability


APPLICATIONS AREAS:
(Hydroxyethyl)methacrylate is used in the preparation of solid polymers, acrylic dispersions, and polymer solutions, which are used in various industries.

(Hydroxyethyl)methacrylate is applied in the production of:
Coating Resins
Automotive coatings
Architectural coatings
Paper coatings
Industrial coatings
Plastics
Hygiene products
Adhesives & Sealants
Textile finishes
Printing inks
Contact lens
Modifiers
Photosensitive materials
Additives for oil production and transportation








CHEMICAL AND PHYSICAL PROPERTIES OF (HYDROXYETHYL)METHACRYLATE:
Chemical formula C6H10O3
Molar mass 130.143 g•mol−1
Appearance Colourless liquid
Density 1.07 g/cm3
Melting point −99 °C (−146 °F; 174 K)[2]
Boiling point 213 °C (415 °F; 486 K)[2]
Solubility in water miscible
log P 0.50[1]
Vapor pressure 0.08 hPa
Molecular Weight
130.14 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
XLogP3
0.5
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Hydrogen Bond Donor Count
1
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Hydrogen Bond Acceptor Count
3
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Rotatable Bond Count
4
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Exact Mass
130.062994177 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Monoisotopic Mass
130.062994177 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Topological Polar Surface Area
46.5Ų
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Heavy Atom Count
9
Computed by PubChem
Formal Charge
0
Computed by PubChem
Complexity
118
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Isotope Atom Count
0
Computed by PubChem
Defined Atom Stereocenter Count
0
Computed by PubChem
Undefined Atom Stereocenter Count
0
Computed by PubChem
Defined Bond Stereocenter Count
0
Computed by PubChem
Undefined Bond Stereocenter Count
0
Computed by PubChem
Covalently-Bonded Unit Count
1
Computed by PubChem
Compound Is Canonicalized
Yes
CAS number 868-77-9
EC index number 607-124-00-X
EC number 212-782-2
Hill Formula C₆H₁₀O₃
Chemical formula CH₂=C(CH₃)COOCH₂CH₂OH
Molar Mass 130.14 g/mol
HS Code 2916 14 00
Assay (GC, area%) ≥ 97.0 % (a/a)
Density (d 20 °C/ 4 °C) 1.069 - 1.072
Identity (IR) passes test
Molecular Weight 130
Appearance Colorless transparent liquid
Odor Aromatic odor
Refractive Index (25℃) 1.451
Boiling Point (℃ 760mmHg) 205
Freezing Point (℃ 760mmHg) -12
Flash Point (℃) 107 (Cleveland open-cup flash test)
Viscosity (CP 25℃) 6.1
Solubility Readily soluble in water
Stability&
Reactivity Polymerize under sunlight and heat
Chemical Properties:
Purity
min. 98.0 %
Acid Value
max. 1.0 %
Water content
max. 0.3 %
Color APHA
max. 30
Physical Properties:
Appearance
colorless
Physical form
Liquid
Odor
Aromatic
Molecular weight
130.14 g/mol
Polymer Tg
Tg 25 °C
Tg
- 6 °C
Density
1.073 g/mL at 25°C
Boiling Point
211 °C
Freezing Point
- 12 °C
Flash point
96 °C
Melting Point
- 60 °C
Viscosity
6.8 (mPa.s) at 20 °C
Vapor Point
0.065 hPa
pH
4 (500 g/l in water)
Alternative names:
1,2-Ethanediol mono(2-methylpropenoate); Glycol methacrylate; HEMA
Application:
2-Hydroxyethyl methacrylate is wide applications for drug delivery
CAS number :
868-77-9
Purity :
97%
Molecular weight :
130.14
Molecular Formula :
C 6 H 10 O 3


SAFETY INFORMATION ABOUT (HYDROXYETHYL)METHACRYLATE:
First aid measures:
Description of first aid measures:
General advice:
Consult a physician.
Show this safety data sheet to the doctor in attendance.
Move out of dangerous area:

If inhaled:
If breathed in, move person into fresh air.
If not breathing, give artificial respiration.
Consult a physician.
In case of skin contact:
Take off contaminated clothing and shoes immediately.
Wash off with soap and plenty of water.
Consult a physician.

In case of eye contact:
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
Continue rinsing eyes during transport to hospital.

If swallowed:
Do NOT induce vomiting.
Never give anything by mouth to an unconscious person.
Rinse mouth with water.
Consult a physician.

Firefighting measures:
Extinguishing media:
Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas

Advice for firefighters:
Wear self-contained breathing apparatus for firefighting if necessary.
Accidental release measures:
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment.

Avoid breathing vapours, mist or gas.
Evacuate personnel to safe areas.

Environmental precautions:
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.

Methods and materials for containment and cleaning up:
Soak up with inert absorbent material and dispose of as hazardous waste.
Keep in suitable, closed containers for disposal.

Handling and storage:
Precautions for safe handling:
Avoid inhalation of vapour or mist.

Conditions for safe storage, including any incompatibilities:
Keep container tightly closed in a dry and well-ventilated place.
Containers which are opened must be carefully resealed and kept upright to prevent leakage.
Storage class (TRGS 510): 8A: Combustible, corrosive hazardous materials

Exposure controls/personal protection:
Control parameters:
Components with workplace control parameters
Contains no substances with occupational exposure limit values.
Exposure controls:
Appropriate engineering controls:
Handle in accordance with good industrial hygiene and safety practice.
Wash hands before breaks and at the end of workday.

Personal protective equipment:
Eye/face protection:
Tightly fitting safety goggles.
Faceshield (8-inch minimum).
Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection:
Handle with gloves.
Gloves must be inspected prior to use.
Use proper glove
removal technique (without touching glove's outer surface) to avoid skin contact with this product.
Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.

Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
It should not be construed as offering an approval for any specific use scenario.

Body Protection:
Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection:
Where risk assessment shows air-purifying respirators are appropriate use a fullface respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls.

If the respirator is the sole means of protection, use a full-face supplied air respirator.
Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.

Stability and reactivity:
Chemical stability:
Stable under recommended storage conditions.
Incompatible materials:
Strong oxidizing agents:
Hazardous decomposition products:
Hazardous decomposition products formed under fire conditions.
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas.

Disposal considerations:
Waste treatment methods:
Product:
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging:
Dispose of as unused product.



(S)-2-HYDROXYSUCCINIC ACID (L-MALIC ACID)
(S)-2-Hydroxysuccinic acid (L-Malic acid) is nearly odorless (sometimes a faint, acrid odor) with a tart, acidic taste.
(S)-2-Hydroxysuccinic acid (L-Malic acid) is nonpungent.
May be prepared by hydration of (S)-2-Hydroxysuccinic acid (L-Malic acid); by fermentation from sugars.

CAS: 97-67-6
MF: C4H6O5
MW: 134.09
EINECS: 202-601-5

Synonyms
L-(-)-Malic acid, CP;Butanedioic acid, 2-hydroxy-, (2S)-;pinguosuan;Butanedioicacid,hydroxy-,(S)-;hydroxy-,(S)-Butanedioicacid;l-(ii)-malicacid;L-Gydroxybutanedioicacid;L-Mailcacid;97-67-6;L-Malic acid;L-(-)-Malic acid;(S)-2-hydroxysuccinic acid;(2S)-2-Hydroxybutanedioic acid;(S)-Malic acid;L(-)-Malic acid;(-)-Malic acid;L-Apple acid;L-Hydroxybutanedioic acid;Apple acid;(-)-Hydroxysuccinic acid;L-malate;S-(-)-Malic acid;S-2-Hydroxybutanedioic acid;Butanedioic acid, hydroxy-, (2S)-;Malic acid, L-;L-2-Hydroxybutanedioic acid;CHEBI:30797;(-)-L-Malic acid;(S)-malate;MFCD00064213;Malic acid L-(-)-form;Hydroxysuccinnic acid (-);L-Hydroxysuccinic acid;J3TZF807X5;(S)-(-)-Hydroxysuccinic acid;CHEMBL1234046;NSC9232;(S)-(-)-2-Hydroxysuccinic acid;NSC-9232;NSC 9232;Butanedioic acid, 2-hydroxy-, (2S)-;(S)-Hydroxybutanedioic acid;(-)-(S)-Malic acid;Hydroxybutanedioic acid, (-)-;UNII-J3TZF807X5;malic-acid;Hydroxybutanedioic acid, (S)-;2yfa;4elc;4ipi;4ipj;L-Hydroxysuccinate;2-Hydroxybutanedioic acid, (S)-;(2s)-malic acid;EINECS 202-601-5;L-Hydroxybutanedioate;nchembio867-comp7;L-(-) malic acid;(-)-Hydroxysuccinate;L-(-)-Apple Acid;S-(-)-Malate;(S)-Hydroxybutanedioate;S-2-Hydroxybutanedioate;(-)-(S)-Malate;(S)-(-)-malic acid;(S)-hydroxy-Butanedioate;(S)-Hydroxysuccinic acid;L(-)MALIC ACID;(S)-2-hydroxysuccinicacid;bmse000238;MALIC ACID [HSDB];MALIC ACID, (L);(S)-(-)-Hydroxysuccinate;L-MALIC ACID [FHFI];(S)-hydroxy-Butanedioic acid;SCHEMBL256122;L-MALIC ACID [WHO-DD];MALIC ACID, L- [II];(-)-(s)-hydroxybutanedioic acid;DTXSID30273987;(2S)-(-)-hydroxybutanedioic acid;AMY40197;HY-Y1069;BDBM50510127;s6292;AKOS006346693;CS-W020132;MALIC ACID L-(-)-FORM [MI];L-(-)-Malic acid, BioXtra, >=95%;AS-18628;L-(-)-Malic acid, >=95% (titration);(S)-E 296
;(-)-1-Hydroxy-1,2-ethanedicarboxylic acid;M0022;NS00068391;EN300-93424;C00149;L-(-)-Malic acid, purum, >=99.0% (T);L-(-)-Malic acid, ReagentPlus(R), >=99%;M-0850;35F9ECA9-BBE6-463D-BF3F-275FACC5D14E;L-(-)-Malic acid, SAJ special grade, >=99.0%;L-(-)-Malic acid, Vetec(TM)reagent grade, 97%;Q27104150;Z1201618618;(S)-(-)-2-Hydroxysuccinic acid, L-Hydroxybutanedioic acid;L-(-)-Malic acid, 97%, optical purity ee: 99% (GLC);L-(-)-Malic acid, certified reference material, TraceCERT(R);L-(-)-Malic acid, BioReagent, suitable for cell culture, suitable for insect cell culture;26999-59-7

An optically active form of (S)-2-Hydroxysuccinic acid (L-Malic acid) having (S)-configuration.
(S)-2-Hydroxysuccinic acid (L-Malic acid) is an organic acid that is commonly found in wine.
(S)-2-Hydroxysuccinic acid (L-Malic acid) plays an important role in wine microbiological stability.
(S)-2-Hydroxysuccinic acid (L-Malic acid) is an organic compound with the molecular formula HO2CCH(OH)CH2CO2H.
(S)-2-Hydroxysuccinic acid (L-Malic acid) is a dicarboxylic acid that is made by all living organisms, contributes to the sour taste of fruits, and is used as a food additive.
(S)-2-Hydroxysuccinic acid (L-Malic acid) has two stereoisomeric forms (L- and D-enantiomers), though only the L-isomer exists naturally.
The salts and esters of (S)-2-Hydroxysuccinic acid (L-Malic acid) are known as malates.
The malate anion is a metabolic intermediate in the citric acid cycle.

Biochemistry
(S)-2-Hydroxysuccinic acid (L-Malic acid) is the naturally occurring form, whereas a mixture of L- and D-malic acid is produced synthetically.
(S)-2-Hydroxysuccinic acid (L-Malic acid) plays an important role in biochemistry.
In the C4 carbon fixation process, malate is a source of CO2 in the Calvin cycle.
In the citric acid cycle, (S)-2-Hydroxysuccinic acid (L-Malic acid) is an intermediate, formed by the addition of an -OH group on the si face of fumarate.
(S)-2-Hydroxysuccinic acid (L-Malic acid) can also be formed from pyruvate via anaplerotic reactions.

(S)-2-Hydroxysuccinic acid (L-Malic acid) is also synthesized by the carboxylation of phosphoenolpyruvate in the guard cells of plant leaves.
Malate, as a double anion, often accompanies potassium cations during the uptake of solutes into the guard cells in order to maintain electrical balance in the cell.
The accumulation of these solutes within the guard cell decreases the solute potential, allowing water to enter the cell and promote aperture of the stomata.

(S)-2-Hydroxysuccinic acid (L-Malic acid) Chemical Properties
Melting point: 101-103 °C (lit.)
Alpha: -2 º (c=8.5, H2O)
Boiling point: 167.16°C (rough estimate)
Density: 1.60
Vapor pressure: 0Pa at 25℃
FEMA: 2655 | L-MALIC ACID
Refractive index: -6.5 ° (C=10, Acetone)
Fp: 220 °C
Storage temp.: Store below +30°C.
Solubility H2O: 0.5 M at 20 °C, clear, colorless
Form: Powder
Color: White
Specific Gravity: 1.595 (20/4℃)
Odor: odorless
PH: 2.2 (10g/l, H2O, 20℃)
pka: (1) 3.46, (2) 5.10(at 25℃)
Odor Type: odorless
Optical activity: [α]20/D 30±2°, c = 5.5% in pyridine
Water Solubility: soluble
Merck: 14,5707
JECFA Number: 619
BRN: 1723541
InChIKey: BJEPYKJPYRNKOW-REOHCLBHSA-N
LogP: -1.68
CAS DataBase Reference: 97-67-6(CAS DataBase Reference)
NIST Chemistry Reference: (S)-2-Hydroxysuccinic acid (L-Malic acid) (97-67-6)
EPA Substance Registry System: (S)-2-Hydroxysuccinic acid (L-Malic acid)(97-67-6)

(S)-2-Hydroxysuccinic acid (L-Malic acid) is nearly odorless (sometimes a faint, acrid odor).
(S)-2-Hydroxysuccinic acid (L-Malic acid) has a tart, acidic, nonpungent taste.

Uses
(S)-2-Hydroxysuccinic acid (L-Malic acid) is used as a food additive, Selective α-amino protecting reagent for amino acid derivatives.
Versatile synthon for the preparation of chiral compounds including κ-opioid receptor agonists, 1α,25-dihydroxyvitamin D3 analogue, and phoslactomycin B.
The naturally occuring isomer is the L-form which has been found in apples and many other fruits and plants.
Selective α-amino protecting reagent for amino acid derivatives.
Versatile synthon for the preparation of chiral compounds including κ-opioid rece
Intermediate in chemical synthesis.
Chelating and buffering agent.
Flavoring agent, flavor enhancer and acidulant in foods.

(S)-2-Hydroxysuccinic acid (L-Malic acid) contains natural emollient ingredients, which can remove wrinkles on the skin surface, make the skin become tender and white, smooth and elastic, so in the cosmetic formula favored; L-malic acid can be formulated a variety of flavors, spices, for a variety of daily chemical products, such as toothpaste, shampoo, etc; (S)-2-Hydroxysuccinic acid (L-Malic acid) is used abroad to replace citric acid as a new type of detergent additive for the synthesis of high-grade special detergents.
(S)-2-Hydroxysuccinic acid (L-Malic acid) can be used in pharmaceutical preparations, tablets, syrup, can also be mixed into the amino acid solution, can significantly improve the absorption rate of amino acids; (S)-2-Hydroxysuccinic acid (L-Malic acid) can be used for the treatment of liver disease, anemia, low immunity, uremia, hypertension, liver failure and other diseases, and can reduce the toxic effect of anticancer drugs on normal cells; Can also be used for the preparation and synthesis of insect repellents, anti-Tartar agents.
In addition, (S)-2-Hydroxysuccinic acid (L-Malic acid) can also be used as industrial cleaning agent, resin curing agent, synthetic material plasticizer, feed additive, etc.

In food
(S)-2-Hydroxysuccinic acid (L-Malic acid) was first isolated from apple juice by Carl Wilhelm Scheele in 1785.
Antoine Lavoisier in 1787 proposed the name acide malique, which is derived from the Latin word for apple, mālum—as is its genus name Malus.
In German (S)-2-Hydroxysuccinic acid (L-Malic acid) is named Äpfelsäure (or Apfelsäure) after plural or singular of a sour thing from the apple fruit, but the salt(s) are called Malat(e).
Malic acid is the main acid in many fruits, including apricots, blackberries, blueberries, cherries, grapes, mirabelles, peaches, pears, plums, and quince,and is present in lower concentrations in other fruits, such as citrus.
(S)-2-Hydroxysuccinic acid (L-Malic acid) contributes to the sourness of unripe apples.
Sour apples contain high proportions of the acid.
(S)-2-Hydroxysuccinic acid (L-Malic acid) is present in grapes and in most wines with concentrations sometimes as high as 5 g/L.
(S)-2-Hydroxysuccinic acid (L-Malic acid) confers a tart taste to wine; the amount decreases with increasing fruit ripeness.
The taste of (S)-2-Hydroxysuccinic acid (L-Malic acid) is very clear and pure in rhubarb, a plant for which it is the primary flavor.
(S)-2-Hydroxysuccinic acid (L-Malic acid) is also the compound responsible for the tart flavor of sumac spice.
(S)-2-Hydroxysuccinic acid (L-Malic acid) is also a component of some artificial vinegar flavors, such as "salt and vinegar" flavored potato chips.

The process of malolactic fermentation converts malic acid to much milder lactic acid.
(S)-2-Hydroxysuccinic acid (L-Malic acid) occurs naturally in all fruits and many vegetables, and is generated in fruit metabolism.
(S)-2-Hydroxysuccinic acid (L-Malic acid), when added to food products, is denoted by E number E296.
(S)-2-Hydroxysuccinic acid (L-Malic acid) is sometimes used with or in place of the less sour citric acid in sour sweets.
These sweets are sometimes labeled with a warning stating that excessive consumption can cause irritation of the mouth.
(S)-2-Hydroxysuccinic acid (L-Malic acid) is approved for use as a food additive in the EU, US and Australia and New Zealand(where it is listed by its INS number 296).
(S)-2-Hydroxysuccinic acid (L-Malic acid) contains 10 kJ (2.39 kilocalories) of energy per gram.

Production and main reactions
Racemic (S)-2-Hydroxysuccinic acid (L-Malic acid) is produced industrially by the double hydration of maleic anhydride.
In 2000, American production capacity was 5,000 tons per year.
The enantiomers may be separated by chiral resolution of the racemic mixture.
(S)-2-Hydroxysuccinic acid (L-Malic acid) is obtained by fermentation of fumaric acid.
Self-condensation of malic acid in the presence of fuming sulfuric acid gives the pyrone coumalic acid:

2 HO2CCH(OH)CH2CO2H → HO2CC4H3O2 + 2 CO + 4 H2O
Carbon monoxide and water are liberated during this reaction.
(S)-2-Hydroxysuccinic acid (L-Malic acid) was important in the discovery of the Walden inversion and the Walden cycle, in which (−)-malic acid first is converted into (+)-chlorosuccinic acid by action of phosphorus pentachloride.
Wet silver oxide then converts the chlorine compound to (+)-malic acid, which then reacts with PCl5 to the (−)-chlorosuccinic acid.
The cycle is completed when silver oxide takes this compound back to (−)-malic acid.
(S)-2-Hydroxysuccinic acid (L-Malic acid) is used to resolve α-phenylethylamine, a versatile resolving agent in its own right.

Preparation
(1) a mixed solution of L-malate and fumarate was prepared according to the cell transformation method of the prior art (DE3310849).
The aspergilus wentii strain isolated from soil was treated with sugar 30g/L, diammonium hydrogen phosphate 3G/L, ammonium sulfate 2G/L, potassium chloride 2G/L, magnesium sulfate 1g/L, the cells were cultured in a culture medium containing 5g/L of sodium fumarate for 48 hours and separated by filtration.
Prepare 2% carrageenan solution at 60-70 ℃, and add the separated cells at 10%(w/w) when cooling to 50 ℃, stir evenly and then pour into a plate to solidify, 5mm X 5mm X 5mm immobilized cells were prepared.
A glass column of 8cm x 60cm was then loaded.

A 1.4m sodium fumarate solution was passed through the immobilized cell column at a rate of 1000mL/h to obtain a mixed solution of L-malate and fumarate.
(2) take 1000ml of the mixture obtained in step (1), which contains 186g of sodium L-malate and 56g of sodium fumarate.
The solution was heated to 60 °c, and G (molar ratio 1.05: 1) of fumaric acid was added with stirring.
The reaction was stirred for 3.5 hours, PH = 3.2, cooled to 15~20 °c, filtered, the filter cake was washed with a small amount of water and then neutralized with NaOH to PH = 7-8 for cell transformation.

The resulting filtrate was 980ML and contained 40g of monosodium fumarate.
Heat to 85 °c, pass through ml 001x7 strong acid cation exchange column (diameter 6cm, height 60cm), collect the eluent and concentrate (S)-2-Hydroxysuccinic acid (L-Malic acid) under reduced pressure, when L-malic acid concentration is increased to 40%, after cooling to 10-15 °c, fumaric acid was recovered by filtration.
The filtrate is further concentrated under reduced pressure to a (S)-2-Hydroxysuccinic acid (L-Malic acid) concentration of 80-82%, cooled to 15 ° C.
To crystallize 91gL-malic acid.
The mother liquor contains 46gL-malic acid, and the mother liquor can be recycled.
The yield of (S)-2-Hydroxysuccinic acid (L-Malic acid) corresponds to 97%.

Purification Methods
Crystallise (S)-2-Hydroxysuccinic acid (L-Malic acid) from ethyl acetate/pet ether (b 55-56o), keeping the temperature below 65o.
Or dissolve it by refluxing in fifteen parts of anhydrous diethyl ether, decant, concentrate to one-third volume and crystallise (S)-2-Hydroxysuccinic acid (L-Malic acid) at 0o, repeatedly to constant melting point.
(TRIETHYL)AMINE
Triethyl(amine) (formula: C6H15N), also known as N, N-diethylethanamine, is the most simple tri-substituted uniformly tertiary amine, having typical properties of tertiary amines, including salifying, oxidation, Hing Myers test (Hisberg reaction) for triethylamine does not respond.
Triethyl(amine) is colorless to pale yellow transparent liquid, with a strong smell of ammonia, slightly fuming in the air.
Boiling point: 89.5 ℃, relative density (water = 1): 0.70, the relative density (Air = 1): 3.48, slightly soluble in water, soluble in alcohol, ether.

CAS: 121-44-8
MF: C6H15N
MW: 101.19
EINECS: 204-469-4

Synonyms
(C2H5)3N;(Diethylamino)ethane;ai3-15425;Ethanamine, N,N-diethyl-;ethanamine,n,n-diethyl-;N,N,N-Triethylamine;N,N-Diethylethanamin;AKOS BBS-00004381;TRIETHYLAMINE;N,N-Diethylethanamine;121-44-8;(Diethylamino)ethane;Ethanamine, N,N-diethyl-;triethyl amine;Triaethylamin;Triethylamin;Trietilamina;N,N,N-Triethylamine;NEt3;trietylamine;tri-ethyl amine;(C2H5)3N;MFCD00009051;N,N-diethyl-ethanamine;VOU728O6AY;DTXSID3024366;CHEBI:35026;Diethylaminoethane;Triethylamine, >=99.5%;Triaethylamin [German];Trietilamina [Italian];CCRIS 4881;HSDB 896;Et3N;TEN [Base];EINECS 204-469-4;UN1296;UNII-VOU728O6AY;N, N-diethylethanamine;N,N,N-Triethylamine #;triethylamine, 99.5%;Triethylamine, >=99%;Triethylamine [UN1296] [Flammable liquid];TRIETHYLAMINE [MI];EC 204-469-4;N(Et)3;NCIOpen2_006503;TRIETHYLAMINE [FHFI];TRIETHYLAMINE [HSDB];TRIETHYLAMINE [INCI];BIDD:ER0331;Triethylamine, LR, >=99%;TRIETHYLAMINE [USP-RS];(CH3CH2)3N;CHEMBL284057;DTXCID204366;N(CH2CH3)3;FEMA NO. 4246;Triethylamine, HPLC, 99.6%;Triethylamine, p.a., 99.0%;Triethylamine, analytical standard;BCP07310;N(C2H5)3;Triethylamine, for synthesis, 99%;Tox21_200873;Triethylamine, 99.7%, extra pure;AKOS000119998;Triethylamine, purum, >=99% (GC);Triethylamine, ZerO2(TM), >=99%;UN 1296;NCGC00248857-01;NCGC00258427-01;CAS-121-44-8;Triethylamine, BioUltra, >=99.5% (GC);Triethylamine, SAJ first grade, >=98.0%;FT-0688146;T0424;Triethylamine 100 microg/mL in Acetonitrile;EN300-35419;Triethylamine [UN1296] [Flammable liquid];Triethylamine, trace metals grade, 99.99%;Triethylamine, SAJ special grade, >=98.0%;Triethylamine, puriss. p.a., >=99.5% (GC);Q139199;J-004499;J-525077;F0001-0344;Triethylamine, for amino acid analysis, >=99.5% (GC);InChI=1/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H;Triethylamine, for protein sequence analysis, ampule, >=99.5% (GC);Triethylamine, United States Pharmacopeia (USP) Reference Standard

Aqueous solution is alkaline, flammable.
Vapor and air can form explosive mixtures, the explosion limit is 1.2% to 8.0%.
Triethyl(amine) is toxic, with a strong irritant.
Triethyl(amine) is a tertiary amine that is ammonia in which each hydrogen atom is substituted by an ethyl group.
Triethyl(amine) appears as a clear colorless liquid with a strong ammonia to fish-like odor. Flash point 20°F.
Vapors irritate the eyes and mucous membranes.
Less dense (6.1 lb / gal) than water.
Vapors heavier than air.
Produces toxic oxides of nitrogen when burned.

Triethyl(amine) Chemical Properties
Melting point: -115 °C
Boiling point: 90 °C
Density: 0.728
Vapor density: 3.5 (vs air)
Vapor pressure: 51.75 mm Hg ( 20 °C)
Refractive index: n20/D 1.401(lit.)
FEMA: 4246 | TRIETHYLAMINE
Fp: 20 °F
Storage temp.: Store below +30°C.
Solubility water: soluble112g/L at 20°C
pka: 10.75(at 25℃)
Form: Liquid
Specific Gravity: 0.725 (20/4℃)
Color: Clear
PH: 12.7 (100g/l, H2O, 15℃)(IUCLID)
Relative polarity: 1.8
Odor: Strong ammonia-like odor
Odor Type: fishy
Odor Threshold: 0.0054ppm
Explosive limit: 1.2-9.3%(V)
Water Solubility: 133 g/L (20 ºC)
Merck: 14,9666
JECFA Number: 1611
BRN: 1843166
Henry's Law Constant: 1.79 at 25 °C (Christie and Crisp, 1967)
Exposure limits NIOSH REL: IDLH 200 ppm; OSHA PEL: TWA 25 ppm (100 mg/m3); ACGIH TLV: TWA 1 ppm, STEL 3 ppm (adopted).
Dielectric constant: 5.0(Ambient)
Stability: Stable. Extremely flammable. Readily forms explosive mixtures with air.
Note low flash point.
Incompatible with strong oxidizing agents, strong acids, ketones, aldehydes, halogenated hydrocarbons.
InChIKey: ZMANZCXQSJIPKH-UHFFFAOYSA-N
LogP: 1.65
CAS DataBase Reference: 121-44-8(CAS DataBase Reference)
NIST Chemistry Reference: Triethyl(amine) (121-44-8)
EPA Substance Registry System: Triethyl(amine) (121-44-8)

Triethyl(amine) is a colorless to yellowish liquid with a strong ammonia to fish-like odor.
Triethyl(amine) is a base commonly used in organic chemistry to prepare esters and amides from acyl chlorides.
Like other tertiary amines, Triethyl(amine) catalyzes the formation of urethane foams and epoxy resins.

Physical properties
Clear, colorless to light yellow flammable liquid with a strong, penetrating, ammonia-like odor.
Experimentally determined detection and recognition odor threshold concentrations were An odor threshold concentration of 0.032 ppbv was determined by a triangular odor bag method.

Uses
Triethyl(amine) is a clear, colorless liquid with an Ammonia or fish-like odor.
Triethyl(amine) is used in making waterproofing agents, and as a catalyst, corrosion inhibitor and propellant.
Triethyl(amine) is mainly used as base, catalyst, solvent and raw material in organic synthesis and is generally abbreviated as Et3N, NEt3 or TEA.
Triethyl(amine) can be used to prepare phosgene polycarbonate catalyst, polymerization inhibitor of tetrafluoroethylene, rubber vulcanization accelerator, special solvent in paint remover, enamel anti-hardener, surfactant, antiseptic, wetting agent, bactericides, ion exchange resins, dyes, fragrances, pharmaceuticals, high-energy fuels, and liquid rocket propellants, as a curing and hardening agent for polymers and for the desalination of seawater.

Triethyl(amine) is a base used to prepare esters and amides from acyl chlorides as well as in the synthesis of quaternary ammonium compounds.
Triethyl(amine) acts as a catalyst in the formation of urethane foams and epoxy resins, dehydrohalogeantion reactions, acid neutralizers for condensation reactions and Swern oxidations.
Triethyl(amine) finds application in reverse phase high-performance liquid chromatography (HPLC) as a mobile-phase modifier.
Triethyl(amine) is also used as an accelerator activator for rubber, as a propellant, as a corrosion inhibitor, as a curing and hardening agent for polymers and for the desalination of seawater.
Furthermore, Triethyl(amine) is used in the automotive casting industry and the textile industry.

Triethyl(amine) is an aliphatic amine.
Triethyl(amine) is used to catalytic solvent in chemical synthesis; accelerator activators for rubber; wetting, penetrating, and waterproofing agents of quaternary ammonium types; curing and hardening of polymers (e.g., corebinding resins); corrosion inhibitor; propellant.
Triethylamine has been used during the synthesis of:
Triethyl(amine) may be used as a homogeneous catalyst for the preparation of glycerol dicarbonate, via transesterification reaction between glycerol and dimethyl carbonate (DMC).

Industrial Uses
Triethyl(amine) is used as an anti-livering agent for urea- and melamine-based enamels and in the recovery of gelled paint vehicles.
Triethyl(amine) is also used as a catalyst for polyurethane foams, a flux for copper soldering, and as a catalytic solvent in chemical synthesis.
Triethyl(amine) is used in accelerating activators for rubber; as a corrosion inhibitor for polymers; a propellant; wetting, penetrating, and waterproofing agent of quaternary ammonium compounds; in curing and hardening of polymers (i.e. core-binding resins); and as a catalyst for epoxy resins.

Production
Triethyl(amine) is produced by ethanol and ammonia in the presence of hydrogen, in containing Cu-Ni-clay catalyst reactor under heating conditions (190 ± 2 ℃ and 165 ± 2 ℃) reaction.
The reaction also produces ethylamine and diethylamine, products were condensed and then absorption by ethanol spray to obtain crude triethylamine, through the final separation, dehydration and fractionation, pure triethylamine is obtained.

Triethyl(amine) is prepared by a vapor phase reaction of ammonia with ethanol or reaction of N,N-diethylacetamide with lithium aluminum hydride.
Triethyl(amine) may also be produced from ethyl chloride and ammonia under heat and pressure or by vapor phase alkylation of ammonia with ethanol.
U.S. production is estimated at greater than 22,000 tons in 1972.

Health Effects
Triethyl(amine) is a flammable liquid and a dangerous fire hazard.
Triethyl(amine) can affect you when inhaled and by passing through the skin.
Contact can severely irritate and bum the skin and eyes with possible eye damage.
Exposure can irritate the eyes, nose and throat.
Inhaling can irritate the lungs.
Higher exposures may cause a build-up of fluid in the lungs (pulmonary edema), a medical mergency.
Triethyl(amine) may cause a skin allergy and affect the liver and kidneys.

Reactivity Profile
Triethyl(amine) reacts violently with oxidizing agents.
Reacts with Al and Zn. Neutralizes acids in exothermic reactions to form salts plus water.
May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides.
Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.

Purification Methods
Dry Triethyl(amine) with CaSO4, LiAlH4, Linde type 4A molecular sieves, CaH2, KOH, or K2CO3, then distil it, either alone or from BaO, sodium, P2O5 or CaH2.
Triethyl(amine) has also been distilled from zinc dust, under nitrogen.
To remove traces of primary and secondary amines, Triethyl(amine) has been refluxed with acetic anhydride, benzoic anhydride, phthalic anhydride, then distilled, refluxed with CaH2 (ammonia-free) or KOH (or dried with activated alumina), and again distilled.
Another purification method involved refluxing for 2hours with p-toluenesulfonyl chloride, then distilling.

Grovenstein and Williams treated Triethyl(amine) (500mL) with benzoyl chloride (30mL), filtered off the precipitate, and refluxed the liquid for 1hour with a further 30mL of benzoyl chloride.
After cooling, the liquid was filtered, distilled, and allowed to stand for several hours with KOH pellets.
Triethyl(amine) was then refluxed with, and distilled from, stirred molten potassium.
Triethyl(amine) has been converted to its hydrochloride (see brlow), crystallised from EtOH (to m 254o), then liberated with aqueous NaOH, dried with solid KOH and distilled from sodium under N2.
(TRIETHYL)AMINE
(Triethyl)amine is the chemical compound with the formula N(CH2CH3)3, commonly abbreviated Et3N.
Furthermore, (Triethyl)amine is also abbreviated TEA, yet this abbreviation must be used carefully to avoid confusion with triethanolamine or tetraethylammonium, for which TEA is also a common abbreviation.


CAS Number: 121-44-8
EC Number: 204-469-4
Chemical formula: C6H15N
Molar mass: 101.193 g·mol−1
Appearance: Colourless liquid



APPLICATIONS


(Triethyl)amine is commonly employed in organic synthesis as a base.
For example, (Triethyl)amine is commonly used as a base during the preparation of esters and amides from acyl chlorides.
Such reactions lead to the production of hydrogen chloride which combines with (Triethyl)amine to form the salt (Triethyl)amine hydrochloride, commonly called triethylammonium chloride.

Hydrogen chloride may then evaporate from the reaction mixture, which drives the reaction. (R, R' = alkyl, aryl):

R2NH + R'C(O)Cl + Et3N → R'C(O)NR2 + Et3NH+Cl−

Like other tertiary amines, (Triethyl)amine catalyzes the formation of urethane foams and epoxy resins.
(Triethyl)amine is also useful in dehydrohalogenation reactions and Swern oxidations.

(Triethyl)amine is readily alkylated to give the corresponding quaternary ammonium salt:

RI + Et3N → Et3NR+I−

(Triethyl)amine is mainly used in the production of quaternary ammonium compounds for textile auxiliaries and quaternary ammonium salts of dyes.
Moreover, (Triethyl)amine is also a catalyst and acid neutralizer for condensation reactions and is useful as an intermediate for manufacturing medicines, pesticides and other chemicals.

(Triethyl)amine salts, like any other tertiary ammonium salts, are used as an ion-interaction reagent in ion interaction chromatography, due to their amphiphilic properties.
Unlike quaternary ammonium salts, tertiary ammonium salts are much more volatile, therefore mass spectrometry can be used while performing analysis.


Niche uses of (Triethyl)amine:

(Triethyl)amine is used to give salts of various carboxylic acid-containing pesticides, e.g. Triclopyr and 2,4-dichlorophenoxyacetic acid.

Besides, (Triethyl)amine is the active ingredient in FlyNap, a product for anesthetizing Drosophila melanogaster.
(Triethyl)amine is used in mosquito and vector control labs to anesthetize mosquitoes.
This is done to preserve any viral material that might be present during species identification.

The bicarbonate salt of (Triethyl)amine (often abbreviated TEAB, triethylammonium bicarbonate) is useful in reverse phase chromatography, often in a gradient to purify nucleotides and other biomolecules.
(Triethyl)amine was found during the early 1940s to be hypergolic in combination with nitric acid, and was considered a possible propellant for early hypergolic rocket engines.
The Soviet "Scud" Missile used TG-02 ("Tonka-250"), a mixture of 50% xylidine and 50% triethlyamine as a starting fluid to ignite its rocket engine.


Natural occurrence of (Triethyl)amine:

Hawthorn flowers have a heavy, complicated scent, the distinctive part of which is (Triethyl)amine, which is also one of the first chemicals produced by a dead human body when it begins to decay.
Due to the scent , (Triethyl)amine is considered unlucky to bring hawthorn into a house.
Gangrene and semen are also said to possess a similar odour.


(Triethyl)amine has been used during the synthesis of:

5′-dimethoxytrityl-5-(fur-2-yl)-2′-deoxyuridine
3′-(2-cyanoethyl)diisopropylphosphoramidite-5′-dimethoxytrityl-5-(fur-2-yl)-2′-deoxyuridine
polyethylenimine600-β-cyclodextrin (PEI600-β-CyD)

(Triethyl)amine may be used as a homogeneous catalyst for the preparation of glycerol dicarbonate, via transesterification reaction between glycerol and dimethyl carbonate.


Identified uses of (Triethyl)amine:

Laboratory chemicals
Manufacture of substances


(Triethyl)amine is used as a catalytic solvent in chemical syntheses; as an accelerator activator for rubber; as a corrosion inhibitor; as a curing and hardening agent for polymers; as a propellant; in the manufacture of wetting, penetrating, and waterproofing agents of quaternary ammonium compounds; and for the desalination of seawater.


Some uses of (Triethyl)amine:

Products used to polish metal surfaces
Biocide
Emulsion stabilising
Flavouring
Adhesive and adhesive remover related products which do not fit into a more refined category
General purpose repair adhesives including all purpose glues, super glue, and epoxies; not including wood glues
Paint or stain related products that do not fit into a more refined category
Home improvement paints, excluding or not specified as oil-, solvent-, or water-based paints
Products used on wooden surfaces, including decks, to impart transparent or semitransparent color
Products for coating and protecting household surfaces other than glass, stone, or grout
Products used to control or kill unwanted plants


(Triethyl)amine is used as a catalyst for polyurethane foams, an accelerator for rubber, and a curing agent for amino and epoxy resins.
In addition, (Triethyl)amine is used as an accelerator in photography development.
(Triethyl)amine is used to make quaternary ammonium compounds and as a catalyst to make sand-based cores and molds.

(Triethyl)amine is a catalytic solvent in chemical synthesis; accelerator activators for rubber; wetting, penetrating, and waterproofing agents of quaternary ammonium types; curing and hardening of polymers (e.g., core-binding resins); corrosion inhibitor; propellant.

More to that, (Triethyl)amine is catalyst for epoxy resins.
(Triethyl)amine is used in manufacture of dyestuffs.


Industry Uses of (Triethyl)amine:

Cleaning agent
Dispersing agent
Finishing agents
Intermediates
Pigment
Solvents (which become part of product formulation or mixture)
pH regulating agent


(Triethyl)amine is used as a competing base for the separation of acidic basic and neutral drugs by reverse-phased high-performance liquid chromatography.
Further to that, (Triethyl)amine induces visual disturbances (such as foggy vision) in humans, and is also used in industry as a quenching agent in the ozonolysis of alkenes (e.g. (E)-2-Pentene [P227315]).

(Triethyl)amine is used in the purification of drugs which are pharmacologically or chemically similar through separation in reverse-phase HPLC.
Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency.

(Triethyl)amine is not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package.
Additionally, (Triethyl)amine is commonly used as a base during the preparation of esters and amides from acyl chlorides.

(Triethyl)amine is mainly used in the production of quaternary ammonium compounds for textile auxiliaries and quaternary ammonium salts of dyes.
Furthermore, (Triethyl)amine acts as a catalyst and acid neutralizer for condensation reactions and is useful as an intermediate for manufacturing medicines, pesticides and other chemicals.

(Triethyl)amine is a base used to prepare esters and amides from acyl chlorides as well as in the synthesis of quaternary ammonium compounds.
Moreover, (Triethyl)amine acts as a catalyst in the formation of urethane foams and epoxy resins, dehydrohalogeantion reactions, acid neutralizer for condensation reactions and Swern oxidations.

(Triethyl)amine finds application in reverse phase high-performance liquid chromatography (HPLC) as a mobile-phase modifier.
Besides, (Triethyl)amine is also used as an accelerator activator for rubber, as a propellant, as a corrosion inhibitor, as a curing and hardening agent for polymers and for the desalination of seawater.
Furthermore, (Triethyl)amine is used in automotive casting industry and textile industry.

(Triethyl)amine is used as a catalytic solvent in chemical syntheses; as an accelerator activator for rubber; as a corrosion inhibitor; as a curing and hardening agent for polymers; as a propellant; in the manufacture of wetting, penetrating, and waterproofing agents of quaternary ammonium compounds; and for the desalination of seawater.


Applications of (Triethyl)amine:

Ag chem solvents
Agriculture intermediates
Aluminum production
Chemicals & petrochemicals
Electronic chemicals
Insecticides int
Intermediates
Mining
Pharmaceutical chemicals
Resins


(Triethyl)amine (TEA) belongs to the trialkylamine class.
In addition, (Triethyl)amine finds widespread use in chemical industry.


Use of (Triethyl)amine in Coatings:

(Triethyl)amine (TEA) is used as a neutralization agent for anionic stabilized waterborne resins (polyesters, alkyds, acrylic resins and polyurethanes containing carboxyl or other acidic groups).
More to that, (Triethyl)amine is also utilized as a catalyst in the curing of epoxy and polyurethane systems.


Other uses of (Triethyl)amine:

In synthesis, (Triethyl)amine is primarily used as a proton scavenger; however, it is also used in the production of Diethylhydroxylamine and other organic compounds.



DESCRIPTION


(Triethyl)amine is a base used to prepare esters and amides from acyl chlorides as well as in the synthesis of quaternary ammonium compounds.
Further to that, (Triethyl)amine acts as a catalyst in the formation of urethane foams and epoxy resins, dehydrohalogeantion reactions, acid neutralizer for condensation reactions and Swern oxidations.
(Triethyl)amine finds application in reverse phase high-performance liquid chromatography (HPLC) as a mobile-phase modifier.

(Triethyl)amine is also used as an accelerator activator for rubber, as a propellant, as a corrosion inhibitor, as a curing and hardening agent for polymers and for the desalination of seawater.
Furthermore, (Triethyl)amine is used in automotive casting industry and textile industry.

(Triethyl)amine is a colourless volatile liquid with a strong fishy odor reminiscent of ammonia. Like diisopropylethylamine (Hünig's base), (Triethyl)amine is commonly employed in organic synthesis, usually as a base.


Synthesis and properties of (Triethyl)amine:

(Triethyl)amine is prepared by the alkylation of ammonia with ethanol:
NH3 + 3 C2H5OH → N(C2H5)3 + 3 H2O

The pKa of protonated (Triethyl)amine is 10.75, and it can be used to prepare buffer solutions at that pH.
The hydrochloride salt, (Triethyl)amine hydrochloride (triethylammonium chloride), is a colorless, odorless, and hygroscopic powder, which decomposes when heated to 261 °C.

(Triethyl)amine is soluble in water to the extent of 112.4 g/L at 20 °C.
Additionally, (Triethyl)amine is also miscible in common organic solvents, such as acetone, ethanol, and diethyl ether.

Laboratory samples of (Triethyl)amine can be purified by distilling from calcium hydride.
In alkane solvents (Triethyl)amine is a Lewis base that forms adducts with a variety of Lewis acids, such as I2 and phenols.
Owing to its steric bulk, (Triethyl)amine forms complexes with transition metals reluctantly.

(Triethyl)amine (TEA, Et3N) is an aliphatic amine.
Its addition to matrix-assisted laser desorption/ionization (MALDI) matrices affords transparent liquid matrices with enhanced ability for spatial resolution during MALDI mass spectrometric (MS) imaging.

A head-space gas chromatography (GC) procedure for the determination of (Triethyl)amine in active pharmaceutical ingredients has been reported.
The viscosity coefficient of (Triethyl)amine vapor over a range of density and temperature has been measured.

(Triethyl)amine appears as a clear colorless liquid with a strong ammonia to fish-like odor.
Flash point of (Triethyl)amine is 20 °F.
Vapors of (Triethyl)amine irritate the eyes and mucous membranes.

(Triethyl)amine is less dense (6.1 lb / gal) than water.
Vapors of (Triethyl)amine are heavier than air.
(Triethyl)amine produces toxic oxides of nitrogen when burned.

(Triethyl)amine is a tertiary amine that is ammonia in which each hydrogen atom is substituted by an ethyl group.
Acute (short-term) exposure of humans to (Triethyl)amine vapor causes eye irritation, corneal swelling, and halo vision.

(Triethyl)amine is a collorless liquid with a strong, ammonia-like odor.



PROPERTIES


vapor density: 3.5 (vs air)
vapor pressure: 51.75 mmHg ( 20 °C)
assay: ≥99.5%
form: liquid
autoignition temp.: 593 °F
expl. lim.: 8 %
impurities: ≤0.1% (Karl Fischer)
refractive index: n20/D 1.401 (lit.)
pH: 12.7 (15 °C, 100 g/L)
bp: 88.8 °C (lit.)
mp: −115 °C (lit.)
solubility: water: soluble 112 g/L at 20 °C
density: 0.726 g/mL at 25 °C (lit.)
storage temp.: room temp
Physical state: liquid
Color: colorless
Odor: amine-like
Melting point/freezing point
Melting point/range: -115 °C - lit.
Initial boiling point and boiling range: 88,8 °C - lit.
Flammability (solid, gas): No data available
Upper/lower flammability or explosive limits:
Upper explosion limit: 9,3 %(V)
Lower explosion limit: 1,2 %(V)
Flash point: -11 °C - c.c.
Autoignition temperature: No data available
Decomposition temperature: No data available
pH: 12,7 at 100 g/l at 15 °C
Viscosity:
Viscosity, kinematic: No data available
Viscosity, dynamic: 0,36 mPa.s at 20 °C
Water solubility: 112,4 g/l at 20 °C - soluble
Partition coefficient:
n-octanol/water
log Pow: 1,45 - Bioaccumulation is not expected.
Vapor pressure: 72 hPa at 20 °C
Density: 0,726 g/cm3 at 25 °C - lit.
Relative density: No data available
Relative vapor density: No data available
Particle characteristics: No data available
Explosive properties: No data available
Oxidizing properties: none
Molecular Weight: 101.19
XLogP3: 1.4
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 3
Exact Mass: 101.120449483
Monoisotopic Mass: 101.120449483
Topological Polar Surface Area: 3.2 Ų
Heavy Atom Count: 7
Formal Charge: 0
Complexity: 25.7
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes



FIRST AID


Description of first-aid measures:
General advice:

First aiders need to protect themselves.
Show this material safety data sheet to the doctor in attendance.


After inhalation:

Fresh air.
Immediately call in physician.
If breathing stops: immediately apply artificial respiration, if necessary also oxygen.


In case of skin contact:

Take off immediately all contaminated clothing.
Rinse skin with water/ shower.
Call a physician immediately.


In case of eye contact:

Rinse out with plenty of water.
Immediately call in ophthalmologist.
Remove contact lenses.


If swallowed:

Make victim drink water (two glasses at most), avoid vomiting (risk of perforation).
Call a physician immediately.
Do not attempt to neutralise.


Most important symptoms and effects, both acute and delayed:

The most important known symptoms and effects are described in the labelling.



HANDLING AND STORAGE


Precautions for safe handling:

Work under hood.
Do not inhale substance/mixture.
Avoid generation of vapours/aerosols.


Advice on protection against fire and explosion:

Keep away from open flames, hot surfaces and sources of ignition
Take precautionary measures against static discharge.


Hygiene measures:

Immediately change contaminated clothing.
Apply preventive skin protection.
Wash hands and face after working with substance.


Conditions for safe storage, including any incompatibilities:

Storage conditions:

Keep container tightly closed in a dry and well-ventilated place.
Keep away from heat and sources of ignition.
Keep locked up or in an area accessible only to qualified or authorized persons.


Storage class:

Storage class (TRGS 510): 3: Flammable liquids


Specific end use(s):

Apart from the uses mentioned above, no other specific uses are stipulated.

Keep in a cool place.
Keep away from sources of ignition – No smoking.
In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Do not empty into drains.
Wear suitable protective clothing, gloves and eye/face protection.
In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).



SYNONYMS


(Triethyl)amine
N,N-Diethylethanamine
121-44-8
(Diethylamino)ethane
Ethanamine, N,N-diethyl-
Triethylamin
triethyl amine
Triaethylamin
Trietilamina
N,N,N-(Triethyl)amine
NEt3
trietylamine
tri-ethyl amine
(C2H5)3N
MFCD00009051
N,N-diethyl-ethanamine
VOU728O6AY
CHEBI:35026
Diethylaminoethane
(Triethyl)amine, >=99.5%
Triaethylamin [German]
Trietilamina [Italian]
CCRIS 4881
HSDB 896
Et3N
TEN [Base]
EINECS 204-469-4
UN1296
UNII-VOU728O6AY
triehtylamine
triehylamine
trieihylamine
triethlyamine
triethyamine
(Triethyl)amine 100ML
triethylamme
triethylarnine
Thethylamine
Triethlamine
triethyIamine
Triethylannine
tri-ethylamine
triehyl amine
triethyl amin
triethylam ine
triethylami-ne
(Triethyl)amine-
trietyl amine
tri ethyl amine
triethyl- amine
AI3-15425
Green Tea 95%
N, N-diethylethanamine
Green Tea PE 50%
Green Tea PE 90%
N,N,N-(Triethyl)amine #
(Triethyl)amine, 99.5%
(Triethyl)amine, >=99%
(Triethyl)amine [UN1296] [Flammable liquid]
DSSTox_CID_4366
(Triethyl)amine [MI]
EC 204-469-4
N(Et)3
DSSTox_RID_77381
NCIOpen2_006503
(Triethyl)amine [FHFI]
(Triethyl)amine [HSDB]
(Triethyl)amine [INCI]
DSSTox_GSID_24366
BIDD:ER0331
(Triethyl)amine (Reagent Grade)
(Triethyl)amine, LR, >=99%
(Triethyl)amine [USP-RS]
(CH3CH2)3N
CHEMBL284057
N(CH2CH3)3
Green Tea Extract (50/30)
Green Tea Extract (90/40)
DTXSID3024366
FEMA NO. 4246
(Triethyl)amine, HPLC, 99.6%
(Triethyl)amine, p.a., 99.0%
Green Tea Extract 50% Material
(Triethyl)amine, analytical standard
ADAL1185352
BCP07310
N(C2H5)3
(Triethyl)amine, for synthesis, 99%
ZINC1242720
Tox21_200873
(Triethyl)amine, 99.7%, extra pure
GREEN TEA Powder & Powder Extract
STL282722
AKOS000119998
(Triethyl)amine, purum, >=99% (GC)
(Triethyl)amine, ZerO2(TM), >=99%
ZINC112977393
UN 1296
NCGC00248857-01
NCGC00258427-01
CAS-121-44-8
(Triethyl)amine, BioUltra, >=99.5% (GC)
(Triethyl)amine, SAJ first grade, >=98.0%
FT-0688146
T0424
(Triethyl)amine 100 microg/mL in Acetonitrile
EN300-35419
(Triethyl)amine [UN1296] [Flammable liquid]
(Triethyl)amine, trace metals grade, 99.99%
(Triethyl)amine, SAJ special grade, >=98.0%
(Triethyl)amine, puriss. p.a., >=99.5% (GC)
Q139199
J-004499
J-525077
F0001-0344
(Triethyl)amine, for amino acid analysis, >=99.5% (GC)
(Triethyl)amine, for protein sequence analysis, ampule, >=99.5% (GC)
(Triethyl)amine, United States Pharmacopeia (USP) Reference Standard
1-(2-METHOXY-1- METHYLETHOXY)-2- PROPANOL
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is also known as propylene glycol monomethyl ether acetate (PGMEA)
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a colorless liquid
1-(2-Methoxy-1- Methylethoxy)-2- Propanol has a mild odor.


CAS NUMBER: 20324-32-7

EC NUMBER: 243-733-3

MOLECULAR FORMULA: C7H16O3

MOLECULAR WEIGHT: 148.20 g/mol

IUPAC NAME: 1-(1-methoxypropan-2-yloxy)propan-2-ol



1-(2-Methoxy-1- Methylethoxy)-2- Propanol is widely used in the electronics industry
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used as a solvent for photoresists

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used as a solvent, dispersant or diluent used in coating, ink, printing and dyeing, pesticide, cellulose, acrylate and other industries.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol can also be used as a fuel antifreeze, a cleaning agent, an extractant, a non-ferrous metal ore dressing agent, etc.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol can also be used as a raw material for organic synthesis.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol can be used in cleansing, smudge removal and masking.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is also used in the agricultural, cosmetic, and printing industries as a retarder for printing on textiles and polymer products with alcohol-soluble inks.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used Agro-chemicals

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used Printing Chemicals and Inks
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used as a solvent in paints, inks, nail polish removers, and cleaning agents.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol can be used as well as in the production of coatings
1-(2-Methoxy-1- Methylethoxy)-2- Propanol also used in inks, and adhesives.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is an organic solvent with a variety of industrial and commercial uses.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol finds use as a less volatile alternative to propylene glycol methyl ether and other glycol ethers.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol also finds use as an industrial and commercial paint stripper.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used as an antifreeze in diesel engines.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used in manufacturing of cleaners
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is completely water-soluble and is also compatible with many resins, greases, oils and waxes.

The commercial product is typically a mixture of four isomers.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used as a solvent for paints

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a colorless liquid with a mild and pleasant odor.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a solvent used in paints

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is an organic solvent with a wide variety of industrial and commercial uses.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a hydrophilic glycol ether with a fast evaporation rate and excellent coupling abilities including high water solubility and active solvency.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a colorless liquid
1-(2-Methoxy-1- Methylethoxy)-2- Propanol has a sweet ether-like odor and bitter taste.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is soluble in water, ether, acetone, and benzene.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is primarily used in the manufacture of lacquers and paints

Synthesis Method:
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is synthesized by the reaction of 2-Propanol, 1-(2-methoxy-1-methylethoxy)- oxide with methanol in the presence of an acid catalyst, followed by esterification with acetic acid.
The purity of 1-(2-Methoxy-1- Methylethoxy)-2- Propanol can be improved by distillation or molecular sieves.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol mixes with water
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a medium molecular weight glycol ether frother.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a strong frother giving high recovery and medium selectivity.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a clear, colorless, combustible liquid with a slight ether odor.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is completely soluble in water, and has moderate volatility.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used as a reagent in the synthesis of metolachlor.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol acts as a good biological indicator.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a colorless
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is flammable, and liquid organic compound

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a propylene oxide-based, or P-series, glycol ether.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used as a solvent for paints, lacquers, resins, dyes, oil/greases, cleaners and cellulose and as a heat-transfer agent.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used as a solvent material in paint and coating processes, inks, cosmetics and cleaning agents used in industrial and domestic applications.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used as a solvent and as an antifreeze agent.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a propylene oxide-based/P series glycol ether
1-(2-Methoxy-1- Methylethoxy)-2- Propanol has the formula C7H16O3.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a clear, colourless
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a viscous liquid which has a slight ether odour.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used in coating products
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used in washing & cleaning products

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used in plant protection products
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used in adhesives and sealants
1-(2-Methoxy-1- Methylethoxy)-2- Propanol has an industrial use resulting in manufacture of another substance (use of intermediates).

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a colourless
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is hygroscopic solvent with a volatility, viscosity and solvent power similar to those of ethylene oxide-based glycol ethers.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used as an ink thinner:
1-(2-Methoxy-1- Methylethoxy)-2- Propanol provides good solubility for a wide range of resins including acrylic, epoxy, alkyd, polyester, nitrocellulose and polyurethane.


PHYSICAL PROPERTIES:

-Molecular Weight: 148.20 g/mol

-XLogP3: -0.1

-Exact Mass: 148.109944368 g/mol

-Monoisotopic Mass: 148.109944368 g/mol

-Topological Polar Surface Area: 38.7Ų

-Physical Description: Colorless to amber odorless liquid

-Color: Colorless to amber

-Form: Liquid

-Odour: Odorless

-Vapor Pressure: 0.0001 mmHg

-Boiling Point: 190 °C

-Melting Point: -80 °C

-Flash Point: 85 °C

-Solubility: Miscible

-Density: 0.95

Autoignition Temperature: 270 °C


1-(2-Methoxy-1- Methylethoxy)-2- Propanol is completely soluble in water and is miscible with a number of organic solvents, for example ethanol, carbon tetrachloride, benzene, petroleum ether and monochlorobenzene.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is also practically non- toxic and hygroscopic, and thus lends itself well to commercial and industrial use.

How is 1-(2-Methoxy-1- Methylethoxy)-2- Propanol produced?
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is produced by the reaction of propylene oxide with methanol using a catalyst.


CHEMICAL PROPERTIES:

-Hydrogen Bond Donor Count: 1

-Hydrogen Bond Acceptor Count: 3

-Rotatable Bond Count: 5

-Heavy Atom Count: 10

-Formal Charge: 0

-Complexity: 75.3

-Isotope Atom Count: 0

-Defined Atom Stereocenter Count: 0

-Undefined Atom Stereocenter Count: 2

-Defined Bond Stereocenter Count: 0

-Undefined Bond Stereocenter Count: 0

-Covalently-Bonded Unit Count: 1

-Compound Is Canonicalized: Yes

-Chemical Classes: Other Classes -> Other Organic Compounds


1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used as an anti-freeze in industrial engines
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used as a tailing agent for inks used on very high-speed presses
1-(2-Methoxy-1- Methylethoxy)-2- Propanol can be used as a coupling agent for resins and dyes in waterbased inks
1-(2-Methoxy-1- Methylethoxy)-2- Propanol also used as a solvent for celluloses, acrylics, dyes, inks, and stains.

How is 1-(2-Methoxy-1- Methylethoxy)-2- Propanol stored and distributed?
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is stored in mild steel and /or stainless steel tanks and/or drums and can be transported by bulk vessels or tank trucks.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol should be stored away from heat and sources of ignition in a cool and well-ventilated area.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol has a specific gravity of 0.95 and a flashpoint of 75°C (closed cup) and is not regulated for any form of transport.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol belongs to the family of glycol ethers.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is also known as propylene glycol monomethyl ether (PGME) and has the chemical formula C4H10O2.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is widely used as a solvent
1-(2-Methoxy-1- Methylethoxy)-2- Propanol has a high boiling point

What is 1-(2-Methoxy-1- Methylethoxy)-2- Propanol Used For?
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a very useful industrial and commercial chemical.
One of its main commercial uses is as a solvent for paints, varnishes, inks, strippers, and degreasers.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is also utilised as a coalescing agent for water-based paints and inks where it promotes polymer fusing during the drying process.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is also a component of wood and coil coatings, as well as coatings used in the automotive industry, industrial maintainence, and metal finishing.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is also a component of hydraulic fluids and industrial degreasers and is a chemical additive in the oil production and drilling industry.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is the methyl ether of propylene glycol and has a slightly lower boiling point and higher evaporation rate than its Ethyl Proxitol counterpart.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is completely water soluble and also compatible with many resins, greases, oils and waxes.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is soluble in water
1-(2-Methoxy-1- Methylethoxy)-2- Propanol has a high boiling point and low vapor pressure
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a stable compound
1-(2-Methoxy-1- Methylethoxy)-2- Propanol does not react with most common chemicals.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is completely water-soluble and is also compatible with many greases, oils and waxes, which makes PM an excellent coupling agent.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used in cleaning applications.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a very useful chemical building block in the manufacture of many products.
This is due to its reaction with acids, forming esters and oxidising agents which produce aldehydes, carboxylic acids and alkali metals therefore creating alcoholates and acetals.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is this flexibility that supports the use of DPM across a range of industries and therefore makes it a component of many household items that people use every day.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is found in ceiling and wall paints and in many common cleaners including glass and surface cleaners, paint-brush cleaners, all-purpose cleaners, carpet cleaners and disinfectant cleaners.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is also found in cosmetics where it provides emollient properties and product stabilisation as well as floor and aluminium polish, leather and textile dyes, rust removers and pesticides where it acts as a stabiliser.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is also a chemical intermediate in the production of Dipropylene glycol monomethyl ether acetate or DPMA.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is soluble in water
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is highly flammable.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is a methoxy alcohol derivative
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is chemical formula is C7H16O3.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used in the following products:
-coating products
-anti-freeze products
-lubricants and greases
-biocides (e.g. disinfectants, pest control products)
-inks
-toners

1-(2-Methoxy-1- Methylethoxy)-2- Propanol can be found in complex articles, with no release intended: vehicles.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol can be found in products with material based on: metal (e.g. cutlery, pots, toys, jewellery), wood (e.g. floors, furniture, toys), paper (e.g. tissues, feminine hygiene products, nappies, books, magazines, wallpaper) and plastic (e.g. food packaging and storage, toys, mobile phones).

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used in the following products
-fuels
-laboratory chemicals
-coating products
-plant protection products

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is also used as a reagent in the synthesis of metolachlor.
1-(2-Methoxy-1- Methylethoxy)-2- Propanol acts as a good biological indicator.
Further, 1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used as a solvent and an antifreeze agent.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used in the following areas:
-building & construction work
-printing
-recorded media reproduction
-agriculture
-forestry
-fishing

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used for the manufacture of:
-machinery and vehicles
-plastic products
-mineral products (e.g. plasters, cement) and furniture

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is also used as fuel antifreeze, extractant
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used in reformulation to compensate for the absence of aromatics to control viscosity and their ability to "double" aqueous and organic phases.

1-(2-Methoxy-1- Methylethoxy)-2- Propanol can be used in automotive industry
1-(2-Methoxy-1- Methylethoxy)-2- Propanol also used in paints

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used in the following products:
-air care products
-plant protection products
-coating products
-washing & cleaning products
-biocides (e.g. disinfectants, pest control products)
-fillers
-putties
-plasters
-modelling clay
-lubricants and greases
-perfumes and fragrances
-polishes
-waxes
-cosmetics
-personal care products

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used in coating products
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used in inks and toners

1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used in lubricants and greases
1-(2-Methoxy-1- Methylethoxy)-2- Propanol is used for the manufacture of chemicals


SYNONYM:

2-Propanol, 1-(2-methoxy-1-methylethoxy)-
20324-32-7
1-((1-Methoxypropan-2-yl)oxy)propan-2-ol
1-(2-Methoxy-1-methylethoxy)propan-2-ol
Dowfroth 250
1-(2-METHOXY-1-METHYLETHOXY)-2-PROPANOL
PPG-2 methyl ether
Slovasol 2430
1-(1-methoxypropan-2-yloxy)propan-2-ol
Jeffox OL 2700
Adeka Carpal ML 250
EINECS 243-733-3
RQ1X8FMQ9N
Ucon LB-1715
HSDB 5160
Propanol, 1(or 2)-(2-methoxymethylethoxy)-
1-[(1-METHOXYPROPAN-2-YL)OXY]PROPAN-2-OL
Forguard M
Methyl Dipropasol
HISOLVE DPM
PGM (CHRIS Code)
1-(2-methoxy-1-methyl-ethoxy)propan-2-ol
UNII-RQ1X8FMQ9N
SCHEMBL16072
DTXSID5027809
(C3-H6-O)mult-C-H4-O
METHOXY DIPROPYLENE GLYCOL
5-Methyl-4,7-dioxaoctane-2-ol
WGYZMNBUZFHYRX-UHFFFAOYSA-N
PPG-2 METHYL ETHER [INCI]
AKOS013135992
BS-43827
METHYL ETHER OF DIPROPYLENE GLYCOL
(2-methoxymethylethoxy) propanol [DPGME]
LS-118206
LS-179106
1-(2-methoxy ,1-methylethoxy)-propan-2-ol
EC 252-104-2
F71205
DIPROPYLENE GLYCOL MONOMETHYL ETHER
Q26840877
37286-64-9
1-(2- methoxy-1-methylethoxy)propan-2-ol
1-(1- methoxypropan-2-yloxy)propan-2-ol
2-propanol, 1-(2-methoxy-1-methylethoxy)-
1-Propanol, 2-(2-methoxy-1-methylethoxy)-
2-(2-METHOXY-1-METHYLETHOXY)-1-PROPANOL
2-[(1-Methoxy-2-propanyl)oxy]-1-propanol
2-[(1-methoxypropan-2-yl)oxy]propan-1-ol
2-(1-methoxypropan-2-yloxy)propan-1-ol
55956-21-3
Arcosolv DPM (Salt/Mix)
Dipropylene glycol monomethyl ether (Salt/Mix)
DPGME (Salt/Mix)
MFCD18973002
propan-1-ol, 2-(2-methoxy-1-methylethoxy)-
propanol, 2-(methoxymethylethoxy)-
(2-Methoxymethylethoxy) Propanol
(2-methoxymethylethoxy) propanol
(2-methoxymethylethoxy)propan-1-ol
(2-Methoxymethylethoxy)propanol
(2-methoxymethylethoxy)propanol
(2-Methoxymethylethoxy)propanol
(2-methoxymethylethoxy)propanol
1-(2-methoxy-1-methyl-ethoxy)propan-2-ol;2-(2-methoxy-1-methyl-ethoxy)propan-1-ol;1-(2-methoxypropoxy)propan-2-ol;2-(2-methoxypropoxy)propan-1-ol
1-(2-methoxy-1-methylethoxy)propan-2-ol
1-(2-methoxypropoxy)propan-2-ol
1-(3-Methoxypropoxy)propan-1-ol
1-(3-methoxypropoxy)propan-1-ol
2-(2-methoxypropoxy)propan-1-ol
2-(Methoxymethylethoxy)-propanol
2-[(-methoxypropan-2-yl)oxy]propan-1-ol
2-[(1-methoxypropan-2-yl)oxy]propan-1-ol
2-methoxymethylethoxy propanol
2-methoxymethylethoxy)propanol
2-METHOXYMETHYLETHOXYPROPANOL
2-Methoxymethylethoxypropanol
DIPROPYLENE GLYCO MONOMETHYL ETHER
DIPROPYLENE GLYCOL METHYL ETHER
Dipropylene Glycol Methyl Ether
Dipropylene glycol methyl ether
Methoxypropoxypropanol
Methyl diproxitol
mixure of isomers: 1-(2-methoxypropoxy)propan-2-ol and 1-(2-methoxy-1-methylethoxy)propan-2-ol
propanol
Propanol, (2-methoxymethylethoxy)-
Propanol, 1(*o*r 2)-(2-methoxymethylethoxy)-
Propanol, 1(or 2)-(2-methoxymethylethoxy)-
propylen glycol monomethylether


1,11-UNDECANEDICARBOXYLIC ACID
1,11-Undecanedicarboxylic acid is a family of organic compounds with a chemical formula of HOOC(CH2)10COOH.
The esters of 1,11-Undecanedicarboxylic acid are used as low-temperature plasticizers in polyvinyl chloride.
Moreover, esters of 1,11-Undecanedicarboxylic acid are used as lubricants which are used at a wide range of temperatures and are extensively utilized to manufacture synthetic musk.

CAS Number: 505-52-2
EC number: 208-011-4
Chemical formula: C₁₃H₂₄O₄
Molar mass: 244.167±0 dalton

Synonyms: TRIDECANEDIOIC ACID, 505-52-2, 1,11-Undecanedicarboxylic acid, Brassylic acid, Brassilic acid, 1,13-Tridecanedioic acid, UNII-PL3IQ40C34, PL3IQ40C34, CHEBI:73718, Undecane-1,11-dicarboxylic acid, NSC9498, DSSTox_CID_1683, DSSTox_RID_76281, DSSTox_GSID_21683, Brassylate, CAS-505-52-2, tridecanedioate, Brassilate, 1,11-Undecanedicarboxylicacid, NSC 9498, EINECS 208-011-4, 1,13-Tridecanedioate, 1,13-Brassylic Acid, AI3-18168, EC 208-011-4, 1,11-Undecanedicarboxylate, SCHEMBL20802, Undecane-1,11-dicarboxylate, CHEMBL3187746, DTXSID9021683, 1, 11-Undecanedicarboxylic acid, NSC-9498, ZINC1700020, Tox21_201301, Tox21_302982, LMFA01170014, MFCD00002740, s6063, STK033041, AKOS005381208, 1,11-Undecanedicarboxylic acid, 94%, MCULE-8192564811, NCGC00249020-01, NCGC00249020-02, NCGC00256463-01, NCGC00258853-01, AS-14882, M986, DB-121159, HY-128421, CS-0099256, FT-0606050, T0021, AB01332661-02, 505T522, Q2099072, 1,11-Undecanedicarboxylic acid, 208-011-4, 505-52-2, Acide tridécanedioïque, Brassylic acid, MFCD00002740, Tridecandisäure, Tridecanedioic acid, Undecane-1,11-dicarboxylic acid, 1,11-Undecanedicarboxylate, 1,13-Tridecanedioate, Brassilate, Brassylate, Tridecanedioate, Undecane-1,11-dicarboxylate, 1,11-Undecanedicarboxylicacid, 1 11-undecanedicarboxylic acid, 1, 11-Undecanedicarboxylic acid, 1,11-undecanedicarboxylic acid 98%, 1,11-undecanedicarboxylicacid, 1,13-Tridecanedioic acid, 638-53-9, Brassilic acid, EINECS 208-011-4, QA-7398, STK033041, tridecanedioic acid, ??? 95.0%, Tridecanedioicacid, Tridecanoic acid, undecane-1,11-dicarboxylic acid, 95%

1,11-Undecanedicarboxylic acid is a chemical compound used in a wide range of applications through different industries.
1,11-Undecanedicarboxylic acid, when found in the form of a flake or white powder, comes from the family of organic compounds called as dibasic acids.

Another name for dibasic acids is long-chain dicarboxylic acids.
The chemical formula of long-chain dicarboxylic acids is HOOC(CH2)11COOH.

Application of 1,11-Undecanedicarboxylic acids has been recommended by experts in the field of chemistry, for use in hot melt adhesives, high-performance nylon, high-performance polyamides, and many other applications.

1,11-Undecanedicarboxylic acid is primarily used for the synthesis of fragrances and is a potential alternative for polycyclic acid as 1,11-Undecanedicarboxylic acid is an easily degradable chemical compound.
To overcome these challenges, 1,11-Undecanedicarboxylic acid is used for the synthesis of macrocyclic musk i.e. fragrances.

1,11-Undecanedicarboxylic acid comes from the family of long-chain dicarboxylic acids.
1,11-Undecanedicarboxylic acid is naturally occurring in animal tissues and plants.

When13 carbon molecules, 24 hydrogen molecules and 4 oxygen molecules come together, they form 1,11-Undecanedicarboxylic acid.
1,11-Undecanedicarboxylic acids chemical formula is C13H24O4.

1,11-Undecanedicarboxylic acid like most other Dicarboxyl acids can produce two kinds of salts because 1,11-Undecanedicarboxylic acid contains two carboxylic groups.
1,11-Undecanedicarboxylic acid is a white crystalline substance, slightly soluble in water, and has a melting point of 130 ° C.

1,11-Undecanedicarboxylic acid is used in polymers, biological solvents, lubricants, and perfumeries plasticizer production.
1,11-Undecanedicarboxylic acid is used to manufacture plastics such as nylon-1313 as an intermediate.

Multi-pound production of nylon-1313 demonstrates that there are no serious obstacles to commercial production of this long-chain polyamide.
The synthesis of nylon-1313 is remarkably simple and straightforward when compared to the reactions required to produce nylon-11 and -12.

In many ways nylon-1313 is comparable to these other nylons, but 1,11-Undecanedicarboxylic acid is lower melting, slightly less dense, and more hydrophobic than either of 1,11-Undecanedicarboxylic acids counterparts.
This engineering resin can be produced economically using 1,11-Undecanedicarboxylic acid derived from crambe or other high-erucic acid oils.

1,11-Undecanedicarboxylic acid is a family of organic compounds with a chemical formula of HOOC(CH2)10COOH.

1,11-Undecanedicarboxylic acid is a versatile chemical intermediate.
1,11-Undecanedicarboxylic acids were first created in the nineteenth century by oxidative ozonolysis of erucic acid.

1,11-Undecanedicarboxylic acid is a dibasic acid, which is available in the market in the form of flakes, powder or in diluted form.
1,11-Undecanedicarboxylic acid belongs to the family of organic compounds called long-chain dicarboxylic acid.

The esters of 1,11-Undecanedicarboxylic acid are used as low-temperature plasticizers in polyvinyl chloride.
Moreover, esters of 1,11-Undecanedicarboxylic acid are used as lubricants which are used at a wide range of temperatures and are extensively utilized to manufacture synthetic musk.
Commercially, 1,11-Undecanedicarboxylic acid serves as a monomer of dicarboxylic acid for the production of polyamides such as nylon 613 and nylon 1313.

The demand for 1,11-Undecanedicarboxylic acid is expected to increase over the forecast period, owing to rising applications of 1,11-Undecanedicarboxylic acid in various end-use industries such as fragrances & perfumes, lubricants, and adhesives coupled with important use in the formation of polyurethanes, alkyd resins, and polyamides.
Moreover, 1,11-Undecanedicarboxylic acid is used as monomers for certain co-polymers such as nylon 13,13.

Various diesters of 1,11-Undecanedicarboxylic acid are incorporated into PVC and are used as plasticizers.
These derivatives of 1,11-Undecanedicarboxylic acid possess property to remain stable at low temperature conditions.

Moreover, nylon that is manufactured with 1,11-Undecanedicarboxylic acid have low moisture absorption capability, which are suitable for applications that require toughness, retention of strength, abrasion resistance and electrical properties under changing climatic conditions.
Furthermore, the properties of nylon 1313 which is manufactured using 1,11-Undecanedicarboxylic acid is similar to that of the commercially produced polyamides such as nylon 11, 12, 610, and 612.
These factors are expected to drive demand for 1,11-Undecanedicarboxylic acid over the forecast period.

1,11-Undecanedicarboxylic acid is majorly used in fragrance industry for synthesis of macrocyclic musk, however, other musk compounds such as nitro musk and polycyclic musk compounds are readily available in the market.
Moreover, direct contact with 1,11-Undecanedicarboxylic acid can cause skin & eye irritation and is expected to cause respiratory problems.
Availability of substitutes and 1,11-Undecanedicarboxylic acids potential to cause health problems are expected to hamper growth of the market over the forecast period.

Polymeric composition comprising a polyolefin and a diacid-diol aliphatic-aromatic copolyester with aromatic part consisting mainly of terephthalic acid or 1,11-Undecanedicarboxylic acids derivatives, aliphatic part consisting of azelaic acid, sebacic acid and 1,11-Undecanedicarboxylic acid and diol c2-c13.
The present invention relates to aliphatic-aromatic polyesters comprising: i) 40 to 60 mol %, based on components i to ii, of one or more dicarboxylic acid derivatives selected from the group consisting of: sebacic acid, azelaic acid and 1,11-Undecanedicarboxylic acid.

1,11-Undecanedicarboxylic acid, when found in the form of a flake or white powder, comes from the family of organic compounds called as dibasic acids.
Another name for dibasic acids is long-chain dicarboxylic acids.

There are almost infinite esters obtained from carboxylic acids.
Esters are formed by removal of water from an acid and an alcohol.
Carboxylic acid esters are used as in a variety of direct and indirect applications.

Lower chain esters are used as flavouring base materials, plasticizers, solvent carriers and coupling agents.
Higher chain compounds are used as components in metalworking fluids, surfactants, lubricants, detergents, oiling agents, emulsifiers, wetting agents textile treatments and emollients.

They are also used as intermediates for the manufacture of a variety of target compounds.
The almost infinite esters provide a wide range of viscosity, specific gravity, vapor pressure, boiling point, and other physical and chemical properties for the proper application selections.

1,11-Undecanedicarboxylic acid is mainly used in top-grade essence, perfume and artificial musk-T, packing materials for foodstuff, also is the important materials for nylon 1313, Polycyclic Synthetic Musks, Polyamide Resin, and Hot Melt Adhesive.
In addition, the important characteristics of 1,11-Undecanedicarboxylic acid like high solubility in water, strength, high resistance, etc. are also expected to boost the market growth by 2030.

Shifting preferences from polycyclic acid to 1,11-Undecanedicarboxylic acid for perfume manufacturing is the major factor predicted to create abundant growth opportunities for the global 1,11-Undecanedicarboxylic acid market during the forecast period.
Moreover, 1,11-Undecanedicarboxylic acid is also used as lubricants and adhesives for machine joints for smooth functioning.

And with the growing expansion of the automobile industry, the global 1,11-Undecanedicarboxylic acid market is also projected to witness immense growth opportunities by 2030.
Sky-rocketing cost of 1,11-Undecanedicarboxylic acid is the prime factor anticipated to hinder the market growth.

The growth and development of the perfume and fragrance industry, emerging market of 1,11-Undecanedicarboxylic acid along with 1,11-Undecanedicarboxylic acids applications like PVC and plasticizers clubbed with the use of the regenerating feedstocks, is expected to increase market growth in 1,11-Undecanedicarboxylic acid significantly.
Advanced technical applications of 1,11-Undecanedicarboxylic acid are expected to create lucrative opportunities in the lubricant industry, adhesive industry, and plastics industry.
That being said, the adverse effects of 1,11-Undecanedicarboxylic acid and the substitutes available in the market for consumers are likely to hinder the exponential rise of the 1,11-Undecanedicarboxylic acid market.

The global production of 1,11-Undecanedicarboxylic acid for perfumes is currently higher than any other acid and is expected to be the same for the coming years.
Nevertheless, other forms of musk compounds are available for use in the market, including nitro musk compounds and polycyclic musk compounds.

1,11-Undecanedicarboxylic acid is predicted that this competition will be the central issue that will restrain market growth.
Because of the increased availability of sources of renewable raw materials like vegetable oil, 1,11-Undecanedicarboxylic acid consumption is the highest in Europe.

According to a report by Research Dive, Europe is currently the highest contributor to cash flow among all the regions studied and is anticipated to keep up 1,11-Undecanedicarboxylic acids dominance and lead over the projected timeline, accompanied by the Asia Pacific and North America.

Uses of 1,11-Undecanedicarboxylic acid:
1,11-Undecanedicarboxylic acid is used in the production of high-grade flavors, fragrances and artificial musk-T, hot melt adhesives and engineering plastics, high-grade food packaging materials, and the main raw material of high-grade nylon 1313
Material of high-level essence, perfume and synthetic musk T; high grade food packing material; main material of high grade nylon 1313

1,11-Undecanedicarboxylic acid is a dicarboxylic acid with 13 carbon atoms, occurring in plant and animal tissues.
1,11-Undecanedicarboxylic acid exhibits typical carboxyl group chemistry useful in a variety of industrial applications.

Dicarboxylic acid can yield two kinds of salts, as they contain two carboxyl groups in 1,11-Undecanedicarboxylic acids molecules.
1,11-Undecanedicarboxylic acid is a white crystalline; melting point at 130 C, slightly soluble in water.

1,11-Undecanedicarboxylic acid is used in manufacturing plasticizer for polymers, biodegradable solvents, lubricants and perfumeries.
1,11-Undecanedicarboxylic acid is used as an intermediates to produce engineering plastics such as nylon-1313

Dicarboxylic acid is a compound containing two carboxylic acid, -COOH, groups.
Straight chain examples are shown in table.
The general formula is HOOC(CH2)nCOOH, where oxalic acid's n is 0, n=1 for malonic acid, n=2 for succinic acid, n=3 for glutaric acid, and etc.

In substitutive nomenclature, their names are formed by adding -dioic' as a suffix to the name of the parent compound.
They can yield two kinds of salts, as they contain two carboxyl groups in 1,11-Undecanedicarboxylic acids molecules.
The range of carbon chain lengths is from 2, but the longer than C 24 is very rare.

The term long chain refers to C 12 up to C 24 commonly.
Carboxylic acids have industrial application directly or indirectly through acid halides, esters, salts, and anhydride forms, polymerization, and etc.

Dicarboxylic acids can yield two kinds of salts or esters, as they contain two carboxyl groups in one molecule.
1,11-Undecanedicarboxylic acid is useful in a variety of industrial applications include;

1,11-Undecanedicarboxylic acid is used in the synthesis of polycyclic synthetic musk, polyamide resins, hot melt adhesive.

Uses include:
Flexibilizer for nylon engineering plastics and fibers,
polyester films and adhesives,
urethane elastomers and elastomeric fibers,
lubricant basestocks and greases,
polyester and polyamide fibers,
wire-coating,
molding resins,
polyamide hot melts

Other Uses:
Plasticizer for polymers
Biodegradable solvents and lubricants
Engineering plastics
Epoxy curing agent
Adhesive and powder coating
Corrosion inhibitor
Perfumery and pharmaceutical
Electrolyte

Applications of 1,11-Undecanedicarboxylic acid:

1,11-Undecanedicarboxylic acid is very useful in a wide variety of industrial applications, some of the uses of 1,11-Undecanedicarboxylic acid are listed below:
Plasticizer for polymers
Engineering plastics
Adhesive and powder coating
Perfumery and pharmaceutical
Biodegradable solvents and lubricants
Epoxy curing agent
Corrosion inhibitor
Electrolyte

Occurrence of 1,11-Undecanedicarboxylic acid:
1,11-Undecanedicarboxylic acid was first obtained by oxidation of castor oil (ricinoleic acid) with nitric acid.
1,11-Undecanedicarboxylic acid is now produced industrially by oxidation of cyclohexanol or cyclohexane, mainly for the production of Nylon 6-6.

1,11-Undecanedicarboxylic acid has several other industrial uses in the production of adhesives, plasticizers, gelatinizing agents, hydraulic fluids, lubricants, emollients, polyurethane foams, leather tanning, urethane and also as an acidulant in foods.
1,11-Undecanedicarboxylic acid was detected among products of rancid fats.

1,11-Undecanedicarboxylic acids origin explains for 1,11-Undecanedicarboxylic acids presence in poorly preserved samples of linseed oil and in specimens of ointment removed from Egyptian tombs 5000 years old.
1,11-Undecanedicarboxylic acid displays bacteriostatic and bactericidal properties against a variety of aerobic and anaerobic micro-organisms present on acne-bearing skin.

1,11-Undecanedicarboxylic acid is produced industrially by alkali fission of castor oil.
Sebacic acid and 1,11-Undecanedicarboxylic acids derivatives have a variety of industrial uses as plasticizers, lubricants, diffusion pump oils, cosmetics, candles, etc.

1,11-Undecanedicarboxylic acid is also used in the synthesis of polyamide, as nylon, and of alkyd resins.
1,11-Undecanedicarboxylic acid can be produced from erucic acid by ozonolysis, but also by microorganisms (Candida sp.) from tridecane.

1,11-Undecanedicarboxylic acid is now produced by fermentation of long-chain alkanes with a specific strain of Candida tropicalis.
1,11-Undecanedicarboxylic acid was shown that hyperthermophilic microorganisms specifically contained a large variety of dicarboxylic acids.

1,11-Undecanedicarboxylic acid was discovered that these compounds appeared in urine after administration of tricaprin and triundecylin.
Although the significance of their biosynthesis remains poorly understood, 1,11-Undecanedicarboxylic acid was demonstrated that ω-oxidation occurs in rat liver but at a low rate, needs oxygen, NADPH and cytochrome P450.
1,11-Undecanedicarboxylic acid was later shown that this reaction is more important in starving or diabetic animals where 15% of palmitic acid is subjected to ω-oxidation and then tob-oxidation, this generates malonyl-coA which is further used in saturated fatty acid synthesis.

Copolyamides derived from 1,11-Undecanedicarboxylic acid:
Polyamides were prepared from C6 to C12 diamines with 1,11-Undecanedicarboxylic acid, a linear C13 dicarboxylic acid, derived from Crambe seed oil.
One distinct characteristic of these polymers is their low moisture adsorption as compared to nylon 66 and nylon 6.

To modify the properties of these nylons, multi-component copolyamides were prepared from hexamethylene diamine and mixtures of 1,11-Undecanedicarboxylic acid with adipic, terephthalic, or isophthalic acids.
1,11-Undecanedicarboxylic acid was found that the melting points of the co-polyamides were changed by the choice and the levels of the diacids used.

The melting point-composition curves all show a eutectic minimum.
They will be commercially viable when 1,11-Undecanedicarboxylic acid becomes available on a large scale and is competitively priced.

1,11-Undecanedicarboxylic acid, a dicarboxylic acid with the molecular formula - HOOC(CH2)11COOH - is a fatty acid which can be technically extracted from erucic acid together with pelargonic acid.
The compounds of the 1,11-Undecanedicarboxylic acids are used in the food and cosmetic industry.

This refers e.g. to ethylene brassylate, an ethylene glycol diester of brassy acid.
The dimethyl ester of brassyl acid(dimethyl brassylate) is used in cosmetic formulations as skin care products and emollients.

1,11-Undecanedicarboxylic acid is detected as an excessive fatty acid in addition to phytic acid (Zellweger syndrome) and cerotic acid (adrenoleukodystrophy) as pathological excretion products in the urine of children with congenital adrenoleukodystrophy or Zellweger syndrome.

Estimation of 1,11-Undecanedicarboxylic acid by gas chromatography-mass spectrometry:
The main focus of this work is to estimate 1,11-Undecanedicarboxylic acid (BA) using gas chromatography-mass spectrometry (GC-MS).
1,11-Undecanedicarboxylic acid is a product obtained from the oxidative cleavage of Erucic Acid (EA).
1,11-Undecanedicarboxylic acid has various applications for making nylons and high performance polymers.

1,11-Undecanedicarboxylic acid is a 13 carbon compound with two carboxylic acid functional groups at the terminal end.
1,11-Undecanedicarboxylic acid has a long hydrocarbon chain that makes the molecule less sensitive to some of the characterization techniques.

1,11-Undecanedicarboxylic acid is chemical formed from processing erucic oils.
Chemical processing method is often used because of 1,11-Undecanedicarboxylic acids low cost and easy to follow for the production of 1,11-Undecanedicarboxylic acid.

The increase in the use of 1,11-Undecanedicarboxylic acid in the manufacture of perfumes, combined with an rise in the use of renewable sources, such as low-priced and readily available vegetable oil, is expected to drive the growth of the 1,11-Undecanedicarboxylic acid industry.
The rise the use of 1,11-Undecanedicarboxylic acid in the manufacture of perfumes is related to 1,11-Undecanedicarboxylic acids desirable attributes, including such diffusivity, and beneficial content, thus driving market growth.

However, the negative impacts of 1,11-Undecanedicarboxylic acid and the accessibility of alternatives are anticipated to hamper the growth of the global market for 1,11-Undecanedicarboxylic acid.
Based on product type, the market for global 1,11-Undecanedicarboxylic acid is further segmented into paraffin oil and vegetable oil.

Based on process, the market for global 1,11-Undecanedicarboxylic acid is further segmented into chemical, and fermentation.
Based on application, the market for global 1,11-Undecanedicarboxylic acid is further segmented fragrances, adhesives, plastics, lubricants, and other.

In terms of Geography, the global 1,11-Undecanedicarboxylic acid market has been segmented into North America, Europe, Asia Pacific, Latin America, and Middle East & Africa.
The Asia-Pacific region dominates the global market for 1,11-Undecanedicarboxylic acid.
As a result of rapid urbanization and an increase in disposable income along with change in people's lifestyle, the use of 1,11-Undecanedicarboxylic acid in industrial businesses, such as perfume production, has increased.

North America has a large market share.
1,11-Undecanedicarboxylic acid holds one of the world 's strong pharma bases.

Improved investment in the phrmaceutical industry and growing people's spending power have contributed to a boom in the North American market for 1,11-Undecanedicarboxylic acid.
Countries such as France, Italy and Spain are the center of the fragrance industry and have the best perfumes produced in the world.

Such a strong manufacturing base and sustainability in Europe has caused a spike in the demand for perfumes due to the evolving lifestyle of the peiople and has caused an increase in the market for 1,11-Undecanedicarboxylic acid.
The Middle East and Africa are expected to face substantial growth.

Due to the fact that the processing of 1,11-Undecanedicarboxylic acid is less tedious compared to fermentation, many producers in the region have experienced an increase in market growth.
Latin America is experiencing relatively slow growth due to the limited number of manufacturers and the availability of substitutes.

Manufacturing Methods of 1,11-Undecanedicarboxylic acid:
The U.S. Emery Company used special rapeseed oil to extract erucic acid, which was then decomposed by ozone oxidation.
Japanese mining companies use self-produced straight-chain alkanes as raw materials for fermentation production.
In addition, in addition to linear alkanes, the raw materials can also be synthesized from linear alkenes, saturated or unsaturated fatty acids, hexadecanoates and the like.

Handling and Storage of 1,11-Undecanedicarboxylic acid:

Storage:
Keep container closed when not in use.
Store in a tightly closed container.
Store in a cool, dry, well-ventilated area away from incompatible substances.

Store the container tightly closed in a dry, cool and well-ventilated place.
Store apart from foodstuff containers or incompatible materials.

Suggested storage:
Store in cool, dry, well-ventilated area away from incompat.

Handling:
Wash thoroughly after handling.
Remove contaminated clothing and wash before reuse.

Minimize dust generation and accumulation.
Avoid contact with eyes, skin, and clothing.

Keep container tightly closed.
Avoid ingestion and inhalation.

Use with adequate ventilation.
Handling in a well ventilated place.

Wear suitable protective clothing.
Avoid contact with skin and eyes.

Avoid formation of dust and aerosols.
Use non-sparking tools.
Prevent fire caused by electrostatic discharge steam.

First Aid Measures of 1,11-Undecanedicarboxylic acid:

Ingestion:
Never give anything by mouth to an unconscious person.
Get medical aid.

Do NOT induce vomiting.
If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.

Inhalation:
Remove from exposure to fresh air immediately.
If breathing is difficult, give oxygen.

Get medical aid.
DO NOT use mouth-to-mouth respiration.
If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.

Skin:
Get medical aid.
Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Wash clothing before reuse.

Eyes:
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.
Get medical aid.

Fire Fighting Measures of 1,11-Undecanedicarboxylic acid:
Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.

Runoff from fire control or dilution water may cause pollution.
To extinguish fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
Use agent most appropriate to extinguish fire.

Identifiers of 1,11-Undecanedicarboxylic acid:
InChI: InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
InChIKey
DXNCZXXFRKPEPY-UHFFFAOYSA-N
CAS Registry Number: 505-52-2
Reaxys registry number: 1786404
ChEBI ID: 73718
mapping relation type: exact match
ChEMBL ID: CHEMBL3187746
SPLASH: splash10-0089-4980000000-e0f9e32666a9f5b5a8fa
splash10-0006-0090000000-38331eb24eac374bd304
ZVG number: 104435
DSSTox substance ID: DTXSID9021683
DSSTOX compound identifier: DTXCID901683
NSC number: 9498
EC number: 208-011-4
UNII: PL3IQ40C34
LIPID MAPS ID: LMFA01170014

instance of: chemical compound
dicarboxylic acid
fatty acid
chemical structure
mass: 244.167±0 dalton
chemical formula: C₁₃H₂₄O₄
canonical SMILES: C(CCCCCC(=O)O)CCCCCC(=O)O
found in taxon: Trypanosoma brucei

Properties of 1,11-Undecanedicarboxylic acid:
PSA:74.6
XLogP3:3.7
Appearance:Solid
Density:1.1±0.1 g/cm3
Melting Point:111 °C
Boiling Point:215-217 °C @ Press: 2 Torr
Flash Point:223.5±17.7 °C
Refractive Index:1.475
Water Solubility:H2O: Insoluble
Storage Conditions:Store below +30°C.

Chemical and Physical Properties of 1,11-Undecanedicarboxylic acid:
Molecular Weight: 244.33
XLogP3: 3.7
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Rotatable Bond Count: 12
Exact Mass: 244.16745924
Monoisotopic Mass: 244.16745924
Topological Polar Surface Area: 74.6 Ų
Heavy Atom Count: 17
Complexity: 192
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Specifications of 1,11-Undecanedicarboxylic acid:
MOLECULAR WEIGHT: 244.33
EINECS: 208-011-4
SMILES: C(CCCCCCCCCCCC(O)=O)(O)=O

INCHI: 1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
INCHIKEY: DXNCZXXFRKPEPY-UHFFFAOYSA-N
WATER SOLUBILITY: 1500 mg/L
MELTING POINT: 111 ° C
ATMOSPHERIC OH RATE CONSTANT: 1.55E-11 cm3/molecule-sec
LOG P (OCTANOL-WATER): 3.670
MELTING POINT: 112-114 °C
WATER SOLUBILITY: Insoluble

Keywords of 1,11-Undecanedicarboxylic acid:
Carbon Compounds
Carboxylic Acids
Chains
Cleavage
Functionals
Hydrocarbons
Nonanoic Acid
Performance
Polymers
Spectroscopy
Synthesis

Related Products of 1,11-Undecanedicarboxylic acid:
Diethyl (Acetylamino)(2-phenylethyl)malonate
4'-Deoxy Vincristine Sulfate (>75%)
1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinepropanoic Acid
1-(((2,6-dimethylpyrimidin-4-yl)oxy)methyl)cyclopropane-1-carbaldehyde
1-(((4,6-dimethylpyrimidin-2-yl)oxy)methyl)cyclopropane-1-carbaldehyde

MeSH of 1,11-Undecanedicarboxylic acid:
Brassylic acid
Undecanedicarboxylic acid
tridecanedioic acid
tridecanedioic acid, disodium salt
tridecanedioic acid, monosodium salt
1,2 PENTANEDIOL
1,2 Pentanediol is a specific raw material used by manufacturers of green cosmetic products.
1,2 Pentanediol is a synthetic compound in the chemical group called 1,2 glycol.
1,2 Pentanediol is a clear, slightly viscous, colorless, odorless liquid and soluble in water.

CAS Number: 5343-92-0
EC Number: 226-285-3
Molecular Formula (1,2 Pentanediol): C5H12O2
Molecular Weight: 104.15 g/mol

Synonyms: 1,2-Pentanediol, Pentane-1,2-diol, 1,2-Dihydroxypentane, 5343-92-0, Pylethylene Glycol, glycol, Glycol, Green Protector, 1,2-Dihydroxypentane, MFCD00010736, 1,a2-aPentanediol, EINECS 226-285-3, BRN 1719151, AI3-03317, NSC 513, 108340-61-0, ACMC-20mbh5, ACMC-1AXDB, EC 226-285-3, 1,2-Pentanediol, 96%, SCHEMBL62155, 3-01-00-02191 (Beilstein Handbook Reference), 1,2-Pentanediol, (2R)-, NSC513, WCVRQHFDJLLWFE-UHFFFAOYSA-, DTXSID10863522, NSC-513, AKOS009156977, AS-40006, SY032914, CS-0017222, FT-0606477, FT-0690841, P1178, 3-(2-NITRO-PHENYL)-ISOXAZOL-5-YLAMINE, 98484-EP2372017A1, A829586, Q3374899

1,2 Pentanediol is a synthetic compound that belongs to the chemical group called 1,2 glycol.
1,2 Pentanediol is a transparent liquid, slightly viscous, colorless, odorless and soluble in water as well as oil.

1,2 Pentanediol is naturally derived from sugar cane.
1,2 Pentanediol is used in many cosmetic products.
1,2 Pentanediol is also referred to by the names 1,2- dihydroxypentane, Pylene glycol, and pentane-1,2-diol.

1,2 Pentanediol is a natural polyhydric alcohol and therefore has the ability to bind water.
This property can be used to moisturize the skin.

Skin is better hydrated, looks significantly brighter and feels better.
At the same time, 1,2 Pentanediol naturally helps inhibit the growth of microorganisms on the skin and can therefore be used as an alternative preservative.

1,2 Pentanediol is soluble in water, acts as an extractant and solvent, is biodegradable, can be used in the pH range of 3-10, and is colorless and odorless.
1,2 Pentanediol is made from natural sugar cane bagasse and is therefore ideal for natural cosmetics.

1,2 Pentanediol is a specific raw material used by manufacturers of green cosmetic products.
The most important feature of this preservative is that 1,2 Pentanediol is obtained from agricultural products. For example, corn and sugar cane.
1,2 Pentanediol is also commonly called Pentylene glycol.

1,2 Pentanediol is a synthetic compound in the chemical group called 1,2 glycol.
There are two alcohol groups attached to the 1st and 2nd carbon.

1,2 Pentanediol is a clear, slightly viscous, colorless, odorless liquid and soluble in water.
1,2 Pentanediol is also obtained naturally from sugar cane.
1,2 Pentanediol is also fat-soluble and used in many cosmetic products.

1,2 Pentanediol is a natural diol derived from sugar cane bagasse's remaining waste, but a cheap synthetic analog also available in the market.
This multifunctional ingredient is a colorless, odorless, slightly viscous liquid that serves as a moisturizer, solubilizer, preservative, emulsion stabilizer, etc.

1,2 Pentanediol is a well-known moisturizer due to the humectant properties of the molecule, proven scientifically by in-vivo studies.
Also, 1,2 Pentanediol is an excellent solubilizer, as 1,2 Pentanediol helps to solubilize many challenging ingredients, including fragrances.
1,2 Pentanediol can also increase the clarity of translucent formulations like aqueous gels and toners.

1,2 Pentanediol protects products from harmful bacteria and improves shelf-life, working synergistically with many preservatives, boosting their efficacy and thus helping to reduce their dose.
In addition, Pentane-1,2-diol stabilizes formulations, especially oil-in-water emulsions (as a co-emulsifier with an HLB value of 8.4), which helps reduce the particle size of emulsions, thus providing less coalescence and better stability.

This diol enhances the bioavailability of other ingredients (proven by ex-vivo study), boosting the activity of both lipophilic and hydrophilic actives.
Furthermore, 1,2 Pentanediol improves pigment distribution, makes whiter and shinier emulsions, promotes penetration into the skin, and improves the efficiency of cooling agents.

Incorporated in sun care applications, 1,2 Pentanediol enhances water resistance and the entire safety of the formula used even in SPF 50+ products.
1,2 Pentanediol also can control the viscosity and texture of the final product.
In skin and hair care products and decorative cosmetics, 1,2 Pentanediol concentration can reach up to 5%.

1,2 Pentanediol is used in formulations as an emulsion stabilizer, solvent and a broad spectrum antimicrobial.
1,2 Pentanediol also helps moisturize and has a light, elegant feel to it.

1,2 Pentanediol will leave the skin soft and smooth.
1,2 Pentanediol can help to solubilize and stabilize lipophilic ingredients in aqueous solutions.

1,2 Pentanediol shows a broad spectrum antimicrobial activity against yeasts, moulds, and bacteria.
1,2 Pentanediol disturbs the integrity of microbial cell membranes, a mechanism of action that is unlikely to be affected by resistance.

Being a non-ionic ingredient, the anti-microbial effect of 1,2 Pentanediol is largely pH-independent.
1,2 Pentanediol can act as a standalone antimicrobial protection agent.

In addition, 1,2 Pentanediol can be easily combined with other classical or non-classical antimicrobial agents, to boost their preservation effects.
1,2 Pentanediol a synthetic, low molecular weight solvent and skin-conditioning agent.

1,2 Pentanediol is commonly used as a skin conditioning agent, due to 1,2 Pentanediol’s ability to help the skin attract and retain moisture.
As such, 1,2 Pentanediol falls into a category of skin care ingredients called humectants.

1,2 Pentanediol is synthetic humectant used in cosmetics and beauty products that is also secondarily used as a solvent and preservative.
1,2 Pentanediol is both water and oil-soluble and 1,2 Pentanediol can have moisture-binding and 1,2 Pentanediol can have antimicrobial properties.

1,2 Pentanediol also has some anti microbial properties, which can make 1,2 Pentanediol a valuable addition to products that are susceptible to contamination of microorganisms.
1,2 Pentanediol is used as a solvent in chemicals produced to soften and smooth the skin in the cosmetic industry.

1,2 Pentanediol is used in sunscreens.
1,2 Pentanediol is a skin moisturizer.

1,2 Pentanediol preserves moisture in the skin, helps to preserve elasticity and moisture of the skin.
1,2 Pentanediol has an antimicrobial effect.
1,2 Pentanediol Lipid and dissolved lipophilic actives can be used in penetration enhancing creams and lotions.

1,2 Pentanediol Hydrogenated phosphotidylcholine is a high viscosity base composed of protected lipids and glycerol.
1,2 Pentanediol is an antimicrobial, chemically produced emulsifier.

Pentilen Glycol has been included in the German Pharmaceutical Codex since 2009.
However, 1,2 Pentanediol is not only approved in Germany, but 1,2 Pentanediol is also approved as a cosmetic active ingredient worldwide.

1,2 Pentanediol is initially based on the immature juice of sugar beets, while synthetic production is standard.
1,2 Pentanediol is used in day and night creams.

1,2 Pentanediol is a complex system for paraben esters-free cosmetic and personal care products.
1,2 Pentanediol is a multifunctional agent that has excellent efficacy as a biostatic and fungistatic agent.
1,2 Pentanediol can reduce irritation and sensitivity and has a wide broad-spectrum antimicrobial effect.

1,2 Pentanediol is an ingredient which is found naturally in some plants (such as sugar beets and corn cobs) but is most frequently lab-derived when used in cosmetics.
1,2 Pentanediol is a humectant, meaning it binds well to water, making 1,2 Pentanediol a good hydrating agent and solvent to aid penetration of other ingredients.
1,2 Pentanediol also helps improve the texture of skin care formulas and has mild preservative properties when used in amounts between 1-5%.

There have been some reports that 1,2 Pentanediol (along with other glycols) is a skin sensitizer; however, as with many ingredients, the amount and how it’s used are key.

1,2 Pentanediol is a chemical compound commonly used in the cosmetics and personal care industry as a skincare and beauty product ingredient.
1,2 Pentanediol is also known by its chemical formula C5H12O2.
1,2 Pentanediol is a type of glycol, which is a class of organic compounds that contain multiple hydroxyl (OH) groups.

1,2 Pentanediol proves multifunctional in skincare and cosmetic formulations, offering a spectrum of benefits.
With its hydrating properties, 1,2 Pentanediol serves as an effective moisturizer, aiding in maintaining skin moisture levels, particularly beneficial for individuals with dry or dehydrated skin.

Acting as a solvent, 1,2 Pentanediol ensures a consistent and uniform texture in products by dissolving other ingredients.
1,2 Pentanediol antimicrobial properties contribute to its role as a preservative, preventing the growth of bacteria and fungi and enhancing 1,2 Pentanediol's longevity.

Recognized for 1,2 Pentanediol mild and non-irritating nature, 1,2 Pentanediol is considered suitable for sensitive skin.
Additionally, 1,2 Pentanediol facilitates the penetration of active ingredients, amplifying the efficacy of skincare formulations.
Overall, 1,2 Pentanediol is a versatile ingredient, addressing various aspects of skincare, from hydration and preservation to compatibility with different skin types.

1,2 Pentanediol is generally recognized as safe for use in cosmetics and skincare products when used in accordance with regulations and guidelines.
However, as with any ingredient, individual reactions or sensitivities may vary, so it's essential to check 1,2 Pentanediol's ingredients list and perform a patch test if you have sensitive skin or allergies.

Uses of 1,2 Pentanediol:
1,2 Pentanediol is used as an emulsion stabilizer, humectant, solvent and a broad-spectrum antimicrobial.
1,2 Pentanediol improves texture of the product.

1,2 Pentanediol has all the characteristics of a solvent.
1,2 Pentanediol is not reactive and can dissolve many other compounds.

1,2 Pentanediol is also known to have antimicrobial properties.

1,2 Pentanediol offers a double advantage:
1,2 Pentanediol protects the skin from harmful bacteria, which could otherwise cause body odor and acne problems on the skin.
Secondly, 1,2 Pentanediol protects the product from any microbial growth, so 1,2 Pentanediol can show the same quality during its use and shelf life.

Skin care:
Due to the two -OH groups, 1,2 Pentanediol has a natural tendency to attract water.
1,2 Pentanediol also retains water, which is especially helpful for dry skin.

1,2 Pentanediol is used as a humectant and skin conditioning agent, for 1,2 Pentanediol ability to retain moisture.
1,2 Pentanediol is used in moisturizer, baby sunscreen, around-eye cream, antiperspirant/deodorant, serums & essences, hand cream, anti-aging, facial moisturizer/treatment, detanning products, bath oil/salts/soak, body oil, body firming lotion, cuticle treatment, body wash/cleanser, tanning oil, recreational sunscreen

Hair care:
1,2 Pentanediol is used in various hair care products such as hair treatment/serum, hair spray, hair styling aide, shampoo, detangler, beard care, shaving cream, beard oil, conditioner, hair color and bleaching, styling gel/lotion, mask, setting powder/spray

Decorative cosmetics:
1,2 Pentanediol is used in cosmetics such as lipstick, concealer, eye shadow, foundation, CC cream, blush, lip balm, facial powder, bronzer/highlighter, lip gloss, BB cream, makeup primer, brow liner, lip liner, eye liner, lip plumper, lip balm, makeup remover

Uses Area of 1,2 Pentanediol:
1,2 Pentanediol is used as a solvent in chemicals produced in the cosmetic industry to soften and smooth the skin.
1,2 Pentanediol has a softening and smoothing effect in this area of use.

1,2 Pentanediol is used together with steroidal hormones in the manufacture of dermatological products.
In these applications, 1,3-butylene glycol and Mono Pentylene glycol are also used as solvents.

This is because 1,3-butylene glycol and Mono Pentylene glycol do not have completely toxic effects.
1,2 Pentanediol is used by combining anti-inflammatory hydrocortisone with Pentylene glycol to relieve minor skin irritation, temporary itching and inflammation.

1,2 Pentanediol is used in the production of allergy medications.
1,2 Pentanediol has antimicrobial properties because 1,2 Pentanediol is Dihydric Alcohol.

1,2 Pentanediol helps prevent unwanted microorganisms due to 1,2 Pentanediol antimicrobial effect.
1,2 Pentanediol is preferred in the production of quality cosmetic products because 1,2 Pentanediol allergic effects are very low.

1,2 Pentanediol is used in the manufacture of daily skin care products due to 1,2 Pentanediol moisturizing effect on the skin.
By retaining water on the skin, 1,2 Pentanediol makes the skin more vibrant, smooth and plump.

1,2 Pentanediol is used as a solvent in chemicals produced to soften and smooth the skin in the cosmetics industry.
1,2 Pentanediol has a softening and smoothing effect in this area of ​​use.

1,2 Pentanediol is used together with steroidal hormones in the manufacture of dermatological products.
In these applications, 1,2 Pentanediol and Mono Pentylene glycol are also used as solvents.

This is because 1,2 Pentanediol and Mono Pentylene glycol do not have exactly the toxic effects.
1,2 Pentanediol is used to relieve minor skin irritation, temporary itching and inflammation, by combining the anti-inflammatory hydrocortisone with pylenylene glycol.

1,2 Pentanediol is used in the production of allergy medicines.
1,2 Pentanediol has antimicrobial properties due to being dihydric alcohol.
Due to 1,2 Pentanediol antimicrobial effect, 1,2 Pentanediol helps to prevent unwanted microorganisms.

1,2 Pentanediol is preferred in the manufacture of quality cosmetic products because of 1,2 Pentanediol very low allergic effects.
1,2 Pentanediol is used in the manufacture of daily skin care products due to its moisturizing effect on the skin.
By keeping the water on the skin, 1,2 Pentanediol makes the skin more lively, smooth and full.

Applications of 1,2 Pentanediol:
1,2 Pentanediol has a wide range of applications.
Intermediate finds applications in Initial product for chemical syntheses, Inks and coatings, Plasticizers and Solvent, Industrial chemicals.

1,2 Pentanediol is used as a plasticizer in cellulose products and adhesives.
1,2 Pentanediol is used as a brake fluid additive.

1,2 Pentanediol reacts with 3,4-dihydro-2H-pyran to get 5-tetrahydropyran-2-yloxy-pentan-1-ol.
1,2 Pentanediol is also used to prepare polyesters for emulsifying agents and resin intermediates.

1,2 Pentanediol is used in ink, toner and colorant products.
In addition to this, 1,2 Pentanediol is used in brake fluid compositions.

1,2 Pentanediol is used to produce materials made of polyester or polyurethane, for the manufacturing of monomers, for the manufacture of polyester polyols, polycarbonatedioles and acrylic monomers, for the production of delta valerolactone and for molecules that act as reactive diluents, for the production of halogenated substances and for the production of adhesives, putties and sealing compounds, cleaners and auxiliary agents.
1,2 Pentanediol is used in the processes to produce hydrogen, hydrogen peroxide, sodium perborate and peroxyacetic acid and as an intermediate for pharmaceutical products.
1,2 Pentanediol is used as an ingredient for the production of polymeric thickeners, plasticizers for polyvinyl chloride, sizing agents, surfactants, for starches and chemically modified starch for application in the paper, textile and food industry, for personal hygiene products like shampoo, creams, and for paints.

Benefits of 1,2 Pentanediol:
1,2 Pentanediol naturally tends to attract water because 1,2 Pentanediol has two -OH groups.
1,2 Pentanediol also retains water, which is especially beneficial for dry skin.

1,2 Pentanediol is used as a humidifier due to its moisture retention capacity.
1,2 Pentanediol has all the properties of a solvent.

1,2 Pentanediol is non-reactive and can dissolve many other compounds.
As mentioned before, due to 1,2 Pentanediol ability to naturally retain moisture in the skin, 1,2 Pentanediol also nourishes the skin and hair.

1,2 Pentanediol is also known to have antimicrobial properties.
1,2 Pentanediol offers a double advantage – 1,2 Pentanediol protects the skin from harmful bacteria that can otherwise cause body odor and acne problems on the skin.

Secondly, 1,2 Pentanediol protects the product from microbial growth, so that 1,2 Pentanediol can maintain the same quality throughout its use and shelf life.
1,2 Pentanediol is used in the formulations of creams, lotions, moisturizers, cleansers and other skin care products.

1,2 Pentanediol offers several benefits when used in skincare and cosmetic products:

Moisturization:
1,2 Pentanediol helps to hydrate the skin by retaining moisture, making 1,2 Pentanediol beneficial for individuals with dry or dehydrated skin.

Solvent:
1,2 Pentanediol serves as a solvent for various cosmetic ingredients, ensuring that the product has a uniform texture and consistency.

Preservation:
1,2 Pentanediol has antimicrobial properties, which help prevent the growth of harmful microorganisms like bacteria and fungi in cosmetic products, extending their shelf life.

Skin-Friendly:
1,2 Pentanediol is known for being mild and non-irritating, making 1,2 Pentanediol suitable for sensitive skin types and reducing the risk of skin irritation or allergic reactions.

Enhanced Ingredient Penetration:
1,2 Pentanediol can improve the absorption of other active ingredients into the skin, increasing the effectiveness of skincare formulations.

Peoduction of 1,2 Pentanediol:
1,2 Pentanediol is produced synthetically from corn and sugar cane.

Origin of 1,2 Pentanediol:
1,2 Pentanediol is based on by-products from manufacturing processes based on sugarcane residues and corn spindles.
However, 1,2 Pentanediol is manufactured in the lab as the consumption is relatively high.

Effect of 1,2 Pentanediol in the formulation:
antimicrobial
Emulsion stabilization
Moisturizer
Solvent

Physical And Chemical Properties of 1,2 Pentanediol:
1,2 Pentanediol is a physically colorless oil-free liquid.
The density of 1,2 Pentanediol is 0.994 g/mol.

The melting point of 1,2 Pentanediol is -18 °C.
1,2 Pentanediol is a stable chemical.

1,2 Pentanediol should be stored at room temperature.
1,2 Pentanediol is soluble in water.

Safety profile of 1,2 Pentanediol:
1,2 Pentanediol does not have any evidence to suggest hazardous to health, toxicity, or carcinogenicity.
1,2 Pentanediol has been found to cause mild irritation to the eyes and skin in skin types that are already sensitized or prone to irritation.

Health Effect of 1,2 Pentanediol:
1,2 Pentanediol is a semi-synthetic component.
The starting raw materials are of natural origin, but are transformed into a different form than their original state using various processes under laboratory conditions.
These are raw materials obtained without using animal sources (propolis, honey, beeswax, lanolin, collagen, snail extract, milk, etc.).

1,2 Pentanediol is a criterion that should be taken into consideration for those who want to use vegan products.
Studies have concluded that different effects can be seen on each skin type.

For this reason, the allergy/irritation effect may vary from person to person.
However, 1,2 Pentanediol may cause reactions such as stinging, tingling, itching, redness, irritation, skin flaking and swelling, especially in people with sensitive skin types.

Identifiers of 1,2 Pentanediol:
CAS Number: 5343-92-0
Chem/IUPAC Name: 2-heptanoyloxypentyl heptanoate
EINECS/ELINCS No: 226-285-3
COSING REF No: 58983

Molecular Formula (1,2 Pentanediol): C5H12O2
Molecular Weight: 104.15 g/mol
Chemical Name: Pylene glycol
CAS Number: 5343-92-0

Properties of 1,2 Pentanediol:
form: solution
mol wt: Mr ~1500
packaging: pkg of 10 × 4 mL
manufacturer/tradename: Roche
shipped in: wet ice
storage temp.: 2-8°C
SMILES string: C(CO)O
InChI: 1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI key: LYCAIKOWRPUZTN-UHFFFAOYSA-N

Other Names of 1,2 Pentanediol:

IUPAC Names:
1,5-Pentanediol
1,5-pentanediol
Pentamethylene glycol
pentane,-1,5-diol
Pentane-1,5-diol
pentane-1,5-diol
Pentane-1,5-diol
pentane-1,5-diol
Pentanediol
1,2-BENZISOTHIAZOL-3(2H)-ONE (BIT)
1,2-benzisothiazol-3(2H)-one (BIT) is readily soluble in most organic solvents and soluble in hot water.
1,2-benzisothiazol-3(2H)-one (BIT) is present in can-end cements.
1,2-Benzisothiazol-3(2H)-one belongs to the family of Benzothiazoles.


CAS Number: 2634-33-5
EC Number: 220-120-9
MDL Number: MFCD00127753
Chemical formula: C7H5NOS


These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).
1,2-Benzisothiazol-3(2H)-one, also known as benzisothiazolone or BIT, belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).


Based on a literature review a significant number of articles have been published on 1,2-benzisothiazol-3(2H)-one (BIT).
1,2-benzisothiazol-3(2H)-one (BIT) belongs to the class of organic compounds known as benzothiazoles.
These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).


1,2-benzisothiazol-3(2H)-one (BIT) biocide is a broad spectrum microbicide for the preservation of industrial water-based products against the attack of microorganisms.
The Composition of BIT-20 is 20% solution of 1,2-Benzisothiazolin-3-one in dipropylene glycol and water.
1,2-benzisothiazol-3(2H)-one (BIT) is an organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion.


1,2-benzisothiazol-3(2H)-one (BIT) has a role as a disinfectant, a platelet aggregation inhibitor, an environmental contaminant, a xenobiotic, a drug allergen and a sensitiser.
1,2-benzisothiazol-3(2H)-one (BIT) is an organonitrogen heterocyclic compound and an organic heterobicyclic compound.
1,2-benzisothiazol-3(2H)-one (BIT) is an organic compound with the formula C6H4SN(H)CO.


1,2-benzisothiazol-3(2H)-one (BIT) is a white solid, it is structurally related to isothiazole, and is part of a class of molecules called isothiazolinones.
Industrial biocide 1,2-benzisothiazol-3(2H)-one (BIT) is present in can-end cements 1,2-Benzisothiazol-3(2H)-one belongs to the family of Benzothiazoles.
These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).


1,2-benzisothiazol-3(2H)-one (BIT) is yellow Powder.
1,2-benzisothiazol-3(2H)-one (BIT) is an organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion.


1,2-benzisothiazol-3(2H)-one (BIT) has a role as a disinfectant, a platelet aggregation inhibitor, an environmental contaminant, a xenobiotic, a drug allergen and a sensitiser.
1,2-benzisothiazol-3(2H)-one (BIT) is an organonitrogen heterocyclic compound and an organic heterobicyclic compound.
1,2-benzisothiazol-3(2H)-one (BIT) is the main industrial sterilization, anti-corrosion, anti-enzyme agent.


1,2-benzisothiazol-3(2H)-one (BIT) is the main industrial sterilization, anti-corrosion, anti-enzyme agent.
1,2-benzisothiazol-3(2H)-one (BIT) has outstanding inhibition of mold (fungi, bacteria), algae and other microorganisms in the role of the breeding of organic media, to solve the microbial breeding of organic products caused by mold, fermentation, deterioration, demulsification, and a series of questions.


1,2-benzisothiazol-3(2H)-one (BIT) is a simple isothiazolinone derivative.
Because of its good thermal stability (thermal decomposition temperature above 300 ℃), 1,2-benzisothiazol-3(2H)-one (BIT) is beneficial to corrosion prevention.
Moreover, due to its advantages of high efficiency, low toxicity and easy degradation, 1,2-benzisothiazol-3(2H)-one (BIT) has attracted extensive attention from experts in biology, medicine and chemistry.


1,2-benzisothiazol-3(2H)-one (BIT) is an aqueous/glycolic preparation of the biocidal active ingredient benzisothiazolinone, and has a broad spectrum of activity against bacteria, mold fungi and yeasts.
1,2-benzisothiazol-3(2H)-one (BIT) is supplied in pale yellow to yellow form and is especially suitable where there is no risk of discoloration.


The good water solubility of 1,2-benzisothiazol-3(2H)-one (BIT) makes it easy to add at high concentrations.
Aqueous, alkaline solution of 1,2-benzisothiazol-3(2H)-one (BIT).
1,2-benzisothiazol-3(2H)-one (BIT) is VOC- and solvent-free.


In the form supplied, 1,2-benzisothiazol-3(2H)-one (BIT) has a light-yellow to yellow color, which is particularly advantageous for applications in which the risk of discoloration must be ruled out.
1,2-benzisothiazol-3(2H)-one (BIT) is an antimicrobial agent and a pharmaceutical intermediate.


1,2-benzisothiazol-3(2H)-one (BIT) has low volatility, good thermal stability, flexible use.
1,2-benzisothiazol-3(2H)-one (BIT) is a preparation solution of water and alcohol whose active ingredient is benzisothiazolinone, and has a broad-spectrum effect on bacteria, molds and yeasts.
1,2-benzisothiazol-3(2H)-one (BIT) is sustained release agent Diuron, aqueous dispersion of IPBC and propiconazole.


1,2-benzisothiazol-3(2H)-one (BIT) is in-can preservative based on benzisothiazolinone.
1,2-benzisothiazol-3(2H)-one (BIT) is Soluble in dichloromethane, dimethyl sulfoxide, methanol.
1,2-benzisothiazol-3(2H)-one (BIT) is an organic compound with the formula C6H4SN(H)CO.


1,2-benzisothiazol-3(2H)-one (BIT) is a combination Min. 19 % aqueous-glycolic solution of 1,2-Benzisothiazolin-3-one (BIT).
1,2-benzisothiazol-3(2H)-one (BIT), known as Benzo[d]isothiazol-3-one, is an organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion.


1,2-benzisothiazol-3(2H)-one (BIT) possesses low volatility and good thermal stability.
The shelf life of 1,2-benzisothiazol-3(2H)-one (BIT) is 2 years.
A white solid, 1,2-benzisothiazol-3(2H)-one (BIT) is structurally related to isothiazole, and is part of a class of molecules called isothiazolinones.


The good water solubility of 1,2-benzisothiazol-3(2H)-one (BIT) enables simple and problem-free incorporation in the concentration ranges recommended for preservation.
1,2-benzisothiazol-3(2H)-one (BIT) is VOC-, AOX-, formaldehyde- & solvent-free, in-can preservative based on benzisothiazolinone.
The shelf life of 1,2-benzisothiazol-3(2H)-one (BIT) is one year.


1,2-benzisothiazol-3(2H)-one (BIT) has a broad spectrum of activity.
1,2-benzisothiazol-3(2H)-one (BIT) is mainly used in packaging, adhesives, detergents, disinfectants, sunscreen lotions, paints and lubricants.
1,2-benzisothiazol-3(2H)-one (BIT) does not appear to have been extensively studied and hence little data is available.


1,2-benzisothiazol-3(2H)-one (BIT) is an organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion.
1,2-benzisothiazol-3(2H)-one (BIT) is an organonitrogen heterocyclic compound and an organic heterobicyclic compound.


1,2-benzisothiazol-3(2H)-one (BIT) is a commonly used biocide in industrial and consumer products, which possesses antimicrobial activity against gram positive and gram negative bacteria.
Data suggests 1,2-benzisothiazol-3(2H)-one (BIT) has a low aqueous solubility and is rapidly broken down in the environment.
1,2-benzisothiazol-3(2H)-one (BIT) is aqueous-glycolic solution of 1,2-Benzisothiazolin-3-one (BIT).



USES and APPLICATIONS of 1,2-BENZISOTHIAZOL-3(2H)-ONE (BIT):
1,2-benzisothiazol-3(2H)-one (BIT) is used in personal care products and cosmetics.
1,2-benzisothiazol-3(2H)-one (BIT) acts as a disinfectant and can be used as a preservative.
1,2-benzisothiazol-3(2H)-one (BIT) is used as preservatives for latex emulsions, emulsion paints, metal-working fluids, etc.


1,2-Benzisothiazol-3(2H)-one is used in personal care products and cosmetics.
1,2-benzisothiazol-3(2H)-one (BIT) acts as a disinfectant and can be used as a preservative.
1,2-benzisothiazol-3(2H)-one (BIT) has been used in CSG, Hydraulic Fracturing Operations (Fracking) as Industrial biocide.


Cosmetic Uses: antimicrobial agents
1,2-benzisothiazol-3(2H)-one (BIT) is the main industrial sterilization, anti-corrosion, and anti-enzyme agent.
1,2-benzisothiazol-3(2H)-one (BIT) has a prominent inhibition of mold, algae and other microorganisms in organic media.


1,2-benzisothiazol-3(2H)-one (BIT) can solve organic products caused by microbial growth.
A series of problems such as mildew, fermentation, deterioration, demulsification, and odor are widely used in sterilization, marine antifouling and other fields.
1,2-benzisothiazol-3(2H)-one (BIT) is widely used in latex products, water-soluble resins, coatings (latex paint), acrylic acid and polymers in developed countries.


Polyurethane products, photographic lotion, papermaking, ink, leather, lubricating oil and other products.
1,2-benzisothiazol-3(2H)-one (BIT) is the main industrial sterilization, anti-corrosion and anti-enzyme agent.
1,2-benzisothiazol-3(2H)-one (BIT) is used as antimicrobial agent.


1,2-benzisothiazol-3(2H)-one (BIT) is widely used in industry as a preservative in water-based solutions, such as pastes, paints and cutting oils.
1,2-benzisothiazol-3(2H)-one (BIT) exists at different concentrations in the different Proxel AB, GXL, CRL, XL2, XL, HL, TN, and in Mergal K-10.
1,2-benzisothiazol-3(2H)-one (BIT) has been widely used in high concentrations for microbial growth control in many domestic and industrial processes, its potential eco-risk should be assessed.


1,2-benzisothiazol-3(2H)-one (BIT) is widely used as a preservative and antimicrobial.
1,2-benzisothiazol-3(2H)-one (BIT) has a microbicide and a fungicide mode of action.
1,2-benzisothiazol-3(2H)-one (BIT) is widely used as a preservative, for example in: 1,2-benzisothiazol-3(2H)-one (BIT) is used emulsion paints, caulks, varnishes, adhesives, inks, and photographic processing solutions, home cleaning and car care products, laundry detergents, stain removers and fabric softeners.


1,2-benzisothiazol-3(2H)-one (BIT) is used industrial settings, for example in textile spin-finish solutions, leather processing solutions, preservation of fresh animal hides and skins
1,2-benzisothiazol-3(2H)-one (BIT) is used agriculture in pesticide formulations.
1,2-benzisothiazol-3(2H)-one (BIT) is used gas and oil drilling in muds and packer fluids preservation.


In paints, 1,2-benzisothiazol-3(2H)-one (BIT) is commonly used alone or as a mixture with methylisothiazolinone.
Typical concentrations in products are 200–400 ppm depending on the application area and the combination with other biocides.
According to a study in Switzerland, 19% of the paints, varnishes and coatings contained 1,2-benzisothiazol-3(2H)-one (BIT) in 2000.


The fraction in adhesives, sealants, plasters and fillers was shown at that time as 25%.
A later study in 2014 shows a dramatic rise in usage, to 95.8% of house paints.
Home cleaning and other care products that are high in water are easily contaminated by microorganisms, so isothiazolinones are often used as a preservatives in these products because they are good at combatting a broad array of bacteria, fungi, and yeasts.


1,2-benzisothiazol-3(2H)-one (BIT) is an irritant and also a skin sensitizer.
Occupational allergie contact dermatitis has been reported mainly related to the use of cutting oils and greases in paint manufacturers, pottery mouldmakers, acrylic emulsion manufacturers, plumbers, printers and lithoprinters, paper makers, an analyticallaboratory, a rubber factory, and in employees manufacturing air fresheners.


1,2-benzisothiazol-3(2H)-one (BIT) is a commonly used biocide in industrial and consumer products, which possesses antimicrobial activity against gram positive and gram negative bacteria.
1,2-benzisothiazol-3(2H)-one (BIT) is mainly used in packaging, adhesives, detergents, disinfectants, sunscreen lotions, paints and lubricants.
1,2-benzisothiazol-3(2H)-one (BIT) is used as antimicrobial agent.


1,2-benzisothiazol-3(2H)-one (BIT) is specifically recommended for the preservation of polymer emulsions, paints and coatings, adhesives, and printing inks.
Therefore, developed countries will be widely used for 1,2-benzisothiazol-3(2H)-one (BIT) latex products, water-soluble resin, paint (latex paint), acrylic acid, polymer.
1,2-benzisothiazol-3(2H)-one (BIT) is used as Linings, photographic lotions, paper, ink, leather, lubricants and other products.
1,2-benzisothiazol-3(2H)-one (BIT) is used as a preservative in manufacturing, metalworking fluids, pottery molding, plumbing, printing, and laboratory analysis.


1,2-benzisothiazol-3(2H)-one (BIT) is used as a preservative in vinyl gloves.
In many cases 1,2-benzisothiazol-3(2H)-one (BIT) can be used as the only preservative.
Depending on the conditions and applications 1,2-benzisothiazol-3(2H)-one (BIT) can be useful to combine it with other biocides to enhance the fungicidal efficacy.


1,2-benzisothiazol-3(2H)-one (BIT) is highly suitable for the preservation of a wide variety of aqueous products due to their good properties:
- Good stability at high pH (3-13)
- Good stability at high temperatures
1,2-benzisothiazol-3(2H)-one (BIT) is widely used in paint industry, cutting oils, water systems, cosmetics, household goods.


Most common applications include the preservation of polymer latexes and emulsion systems, water-based paints, coatings, adhesives, oil-in-water emulsions, textile spin-finish solutions, fountain solutions, and for bacterial control in the paper-making process.
1,2-benzisothiazol-3(2H)-one (BIT) is an effective preservative in most aqueous compositions.


For protection against bacterial contamination, a concentration of 1,2-benzisothiazol-3(2H)-one (BIT) 20% ranging from 0.05 to 0.4% is generally adequate.
1,2-benzisothiazol-3(2H)-one (BIT) is a preservative that belongs to the group of isothiazolinones.
The preservative is added to aqueous products to inhibit the growth of bacteria and fungi.


-Common sources and uses of 1,2-benzisothiazol-3(2H)-one (BIT):
*Paint and varnish
*Water-based colorless wood primers
*Basic cleaning agents
*Wallpaper adhesive, tissue adhesive
*Glue
*Polish
*Hardener's
*Coolant cutting fluid
*Impregnation
*Disinfection and cleaning agents
*Wet-wipes (wet wipes)
*Paint
*Cleaning products



TYPES OF 1,2-BENZISOTHIAZOL-3(2H)-ONE (BIT):
*Preservatives for products during storage
*Slimicides
*Working or cutting fluid preservatives



PRODUCTION OF 1,2-BENZISOTHIAZOL-3(2H)-ONE (BIT):
1,2-benzisothiazol-3(2H)-one (BIT) is prepared from dithiosalicylic acid after cleavage with thionyl chloride/sulfuryl chloride, reaction with ammonia and sodium hydroxide solution and then treatment with hydrochloric acid.



BENEFITS OF 1,2-BENZISOTHIAZOL-3(2H)-ONE (BIT):
*Broad spectrum activity in high pH systems, controlling bacteria, fungi and yeasts.
*Stable in the presence of amines.
*Non specific mode of action, resulting in reduced microbial resistance potential.
*Ease of handling due to its liquid form and good compatibility in most aqueous compositions.
*Excellent performance with co-biocides like CMI/MI, bronopol or formaldehyde releasers, which allow performance enhancements and cost reduction.
*The active ingredient is non-volatile and has a comparatively high heat stability which allows the incorporation in fluids which are still hot.
*High purity active ingredient, made evident by its clear light colour.



WHERE IS 1,2-BENZISOTHIAZOL-3(2H)-ONE (BIT) FOUND?
1,2-benzisothiazol-3(2H)-one (BIT) is most frequently found in paints and industrial products
1,2-benzisothiazol-3(2H)-one (BIT) can be found in some types of vinyl gloves and neoprene gloves



ALTERNATIVE PARENTS OF 1,2-BENZISOTHIAZOL-3(2H)-ONE (BIT):
*Benzenoids
*Thiazoles
*Heteroaromatic compounds
*Azacyclic compounds
*Organopnictogen compounds
*Organooxygen compounds
*Organonitrogen compounds
*Hydrocarbon derivatives



SUBSTITUENTS OF 1,2-BENZISOTHIAZOL-3(2H)-ONE (BIT):
*1,2-benzothiazole
*Benzenoid
*Heteroaromatic compound
*Thiazole
*Azole
*Azacycle
*Organic nitrogen compound
*Organic oxygen compound
*Organopnictogen compound
*Hydrocarbon derivative
*Organooxygen compound
*Organonitrogen compound
*Aromatic heteropolycyclic compound



BASIC PROPERTIES AND CHARACTERISTICS of 1,2-BENZISOTHIAZOL-3(2H)-ONE (BIT):
*broad-spectrum and fast-acting protection
*excellent efficiency at low concentration
*free of VOCs and solvents



PHYSICAL and CHEMICAL PROPERTIES of 1,2-BENZISOTHIAZOL-3(2H)-ONE (BIT):
Melting Point: 154-158ºC
Boiling Point: 204.5ºC at 760 mmHg
Flash Point: 77.5ºC
Molecular Formula: C7H5NOS
Molecular Weight: 151.18600
Density: 1.367g/cm3
Molecular Weight: 151.19
XLogP3-AA: 1.3
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 0
Exact Mass: 151.00918496
Monoisotopic Mass: 151.00918496
Topological Polar Surface Area: 54.4 Ų
Heavy Atom Count: 10
Formal Charge: 0
Complexity: 160
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Chemical formula: C7H5NOS
Molar mass: 151.18 g·mol−1
Appearance: white powder
Melting point: 158 °C (316 °F; 431 K)[1]
Solubility in water: 1 g/L
Appearance: white powder (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 154.00 to 158.00 °C. @ 0.00 mm Hg
Boiling Point: 204.00 to 205.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.183000 mmHg @ 25.00 °C. (est)
Flash Point: 172.00 °F. TCC ( 77.50 °C. ) (est)
logP (o/w): 1.953 (est)
Soluble in: water, 2.143e+004 mg/L @ 25 °C (est)
Melting point: 154-158 °C(lit.)
Boiling point: 360°C (rough estimate)
Density: 1.2170 (rough estimate)
vapor pressure: 0 Pa at 25℃
refractive index: 1.5500 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Soluble in dichloromethane, dimethyl sulfoxide, methanol.
form: neat
pka: 10.19±0.20(Predicted)
color: White to Light yellow to Light orange
Water Solubility: 1.288g/L at 20℃
InChIKey: DMSMPAJRVJJAGA-UHFFFAOYSA-N
LogP: 0.7 at 20℃

Physical state: crystalline
Color: light yellow
Odor: No data available
Melting point/freezing point:
Melting point/range: 154 - 158 °C - lit.
Initial boiling point and boiling range: 328,7 °C at ca.1.013,25 hPa
Flammability (solid, gas): No data available
Upper/lower flammability or explosive limits: No data available
Flash point: Not applicable
Autoignition temperature: 400 °C
Decomposition temperature: No data available
pH: No data available
Viscosity
Viscosity, kinematic: No data available
Viscosity, dynamic: No data available
Water solubility: 1.153 g/l at 20 °C
Partition coefficient: n-octanol/water:
log Pow: 0,63 - 0,76 at 20 °C Bioaccumulation is not expected.
Vapor pressure: < 0,0001 hPa at 25 °C
Density: No data available
Relative density: 1,48 at 20 °C
Particle characteristics: No data available
Explosive properties: No data available
Oxidizing properties: none
Other safety information:
Surface tension 72,6 mN/m at 20 °C
Molecular Formula: C7H5NOS
Molar Mass: 151.18
Density: 1.367g/cm3
Melting Point: 154-158℃
Boling Point: 204.5°C at 760 mmHg
Flash Point: 77.5°C

Vapor Presure: 0.183mmHg at 25°C
Appearance: Yellow powder
Storage Condition: 2-8℃
Refractive Index: 1.66
MDL: MFCD00127753
Melting point: 154-158°C
Water Solubility: 3.21 g/L
logP: 1.24
logP: 1.36
logS: -1.7
pKa (Strongest Acidic): 9.48
pKa (Strongest Basic): -8.5
Physiological Charge: 0
Hydrogen Acceptor Count: 1
Hydrogen Donor Count: 1
Polar Surface Area: 29.1 Ų
Rotatable Bond Count: 0
Refractivity: 39.51 m³·mol⁻¹
Polarizability: 14.49 ų
Number of Rings: 2
Bioavailability: Yes
Rule of Five: Yes
Ghose Filter: No
Veber's Rule: Yes
MDDR-like Rule: No



FIRST AID MEASURES of 1,2-BENZISOTHIAZOL-3(2H)-ONE (BIT):
-Description of first-aid measures:
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation:
Fresh air.
*In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with water/ shower.
Consult a physician.
*In case of eye contact:
After eye contact:
Rinse out with plenty of water.
Immediately call in ophthalmologist.
Remove contact lenses.
*If swallowed:
After swallowing:
Immediately make victim drink water (two glasses at most).
Consult a physician.
-Indication of any immediate medical attention and special treatment needed:
No data available



ACCIDENTAL RELEASE MEASURES of 1,2-BENZISOTHIAZOL-3(2H)-ONE (BIT):
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up dry.
Dispose of properly.
Clean up affected area.



FIRE FIGHTING MEASURES of 1,2-BENZISOTHIAZOL-3(2H)-ONE (BIT):
-Extinguishing media:
*Suitable extinguishing media:
Water
Foam
Carbon dioxide (CO2)
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.



EXPOSURE CONTROLS/PERSONAL PROTECTION of 1,2-BENZISOTHIAZOL-3(2H)-ONE (BIT):
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
Tightly fitting safety goggles
-Skin protection:
Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Splash contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
*Body Protection:
protective clothing
-Control of environmental exposure:
Do not let product enter drains.



HANDLING and STORAGE of 1,2-BENZISOTHIAZOL-3(2H)-ONE (BIT):
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
Dry.



STABILITY and REACTIVITY of 1,2-BENZISOTHIAZOL-3(2H)-ONE (BIT):
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature) .
-Possibility of hazardous reactions:
No data available
-Conditions to avoid:
no information available



SYNONYMS:
Proxel XL
2,3-dihydro-3-oxo-1,2-benzisothiazole
Benzocil
Proxan
1,2-benzisothiazol-3-one
1,2-Benzisothiazol-3(2H)-one
proxel
Proxel AB;proxelpl
1,2-Benzisothiazolin-3-One
PROXELHL
proxil
1,2-benzoisothiazolin-3-one
BIOCIDE--BIT
1,2-Benzisothiazol-3(2H)-one
2634-33-5
1,2-Benzisothiazolin-3-one
1,2-benzothiazol-3-one
benzisothiazolone
Benzo[d]isothiazol-3(2H)-one
Benzo[d]isothiazol-3-one
1,2-Benzisothiazoline-3-one
Proxel
Proxel PL
benzoisothiazol-3-one
1,2-BENZISOTHIAZOL-3-ONE
Benzo[d]isothiazol-3-ol
2,3-dihydro-1,2-benzothiazol-3-one
Benzisothiazolin-3-one
1,2-benzoisothiazolin-3-one
Nipacide BIT
Proxel AB
3-Hydroxy-1,2-benzisothiazole
C7H5NOS
Proxel XL 2
1,2-Benzisothiazolone
1,2-benzisothiazolinone
1,2-Benzoisothiazol-3-one
IPX
CHEBI:167099
HRA0F1A4R3
1,2-Benzoisothiazoline-3-one
DTXSID5032523
2,3-dihydro-3-oxo-1,2-benzisothiazole
MLS-0254244.0001
Benzo(d)isothiazol-3(2H)-one
Caswell No. 079A
Caswell No. 513A
Benzocil
Acticide BIT
Canguard BIT
Denicide BIT
Proxel BD
Proxel CF
Proxel TN
Proxel XL
Proxel BDN
Proxel GXL
Proxel Ultra 5
San-aibac AP
Proxel LV-S
Proxel Press Paste
Apizas AP-DS
Acticide BW 20
Bestcide 200K
Nipacide BIT 20
Parmetol B 70
Parmetol D 11
Proxel GXL(S)
Proxel HL 2
Nuosept 485
Nuosept 491
Nuosept 495
Topcide 600
XBINX
CCRIS 6369
Denicide BIT 20N
Koralone B 119
Nipacide BIT 10W
Preventol BIT 20D
Proxel BD 20
Proxel Press Paste D
Troysan 1050
Bioban BIT 20DPG
benzisothiazoline-3-one
Canguard BIT 20DPG
EINECS 220-120-9
SD 202 (bactericide)
UNII-HRA0F1A4R3
Canguard Ultra BIT 20LE
EPA Pesticide Chemical Code 098901
BIT 10W
BIT 20
2-Thiobenzimide
2,3-Dihydrobenzisothiazol-3-one
SD 202
ORISTAR BIT
1,2-BENZISOTHAZOL-3(2H)-ONE
1,2-Benzothiazolinone
Benzisothiazolone (BIT)
Epitope ID:115004
Benzisothiazol-3(2H)-one
Benzo(D) Isothiazol-3-one
SCHEMBL26078
40991-37-5
cid_17520
MLS000771034
REGID_for_CID_17520
CHEMBL297304
SCHEMBL5586024
DTXCID3012523
BDBM46658
HSDB 8271
BENZISOTHIAZOLINONE [INCI]
HMS1755P21
HMS2706H20
ZINC2581983
Tox21_300489
MFCD00044001
1, 2-BENZISOTHIAZOLIN-3-ONE
AKOS001062434
AKOS030227972
AC-2653
CS-W018117
FS-3163
1,2-Benzisothiazol-3(2H)-one, 97%
NCGC00164206-01
NCGC00248077-01
NCGC00254467-01
SMR000344133
US9011882, Table 1, Compound 20
CAS-2634-33-5
BENZISOTHIAZOL-3(2H)-ONE, 1,2-
DB-027306
AM20060449
B2430
FT-0606282
EN300-17679
A818398
AE-562/40151878
Q411746
1,2-Benzisothiazol-3(2H)-one, analytical standard
W-107178
Z56983154
F0288-0100
1,2-Benzothiazol-3(2H)-one
Benzisothiazolinone
Benzisothiazolin-3-one, Benzisothiazolone
BIT
1,2-BENZISOTHIAZOLIN-3-ONE
BENZISOTHIAZOLINONE
BIT-85
Benzo[d]isothiazol-3(2H)-one
BENZISOTHIAZOLONE
proxel
1,2-Benzisothiazolin
Benzisothiazolin-3-on (BIT)
1,2-benzisothiazoline-3-one
1,2-Benzisothiazolin-3-one
1,2-Benzisothiazoline-3-one
1,2-Benzisothiazolinone
2-Thiobenzimide
Benzisothiazolone
Benzo[D]isothiazol-3-one
C7H5NOS
IPX
Proxan
Proxel
Proxel PL
1,2-Benzisothiazol-3(2H)-one
3-Hydroxy-1,2-benzisothiazole
Acticide BIT
Apizas AP-DS
BIT
Benzisothiazolone
Benzo[d]isothiazol-3(2H)-one
Benzocil
Bestcide 200K
Bioban BIT 20DPG
Canguard BIT
Canguard BIT 20DPG
Proxel BD
Topcide 600
Canguard BIT 20DPG
Proxel BD 20
Proxel XL
Proxel BD
Canguard BIT 20AS-E
Proxel AQ
1,2-Benzisothiazol-3-one
BIT 20, GXL
Parmetol B 70
Denicide BIT
Proxel Ultra 5
1,2-Benzisothiazolone
Koralone B 119, BIT 10W
Benzo[d]isothiazol-3(2H)-one
1,2-Benzoisothiazol-3-one
Nuosept 491
Proxel Press Paste D
Nuosept 485
Acticide BW 20
Proxel GXL
3-Hydroxy-1,2-benzisothiazole
Benzisothiazolone
AQ
Benzisothiazolin-3-one
Denicide BIT 20N
Mergal 753
Nipacide BIT 20
Proxel BDN
Proxel HL 2
Parmetol D 11
Benzisothiazolinone
Apizas AP-DS, SD 202
Proxel PL
Acticide BIT
AQ (antibacterial)
Benzoisothiazol-3-one
2,3-Dihydrobenzisothiazol-3-one
Acticide B 20N
Bioban BIT 20DPG
Rocima 640
Nipacide BIT
1,2-Benzisothiazol-3(2H)-one
Nuosept 495
Proxel LV-S
Proxel LV
Troysan 1050
Canguard BIT
Benzocil
Canguard Ultra BIT 20LE
Proxel CF
Nipacide BIT 10W
Proxel TN
Topcide 600
San-aibac AP
1,2-Benzisothiazolin-3-one (6CI,7CI,8CI)
Preventol BIT 20D
BIT
Proxel GXL(S),1,2-Benzisothiazol-3(2H)-one
1,2-Benzisothiazolin-3-one
1,2-Benzisothiazoline-3-one
1,2-Benzisothiazolinone HMDB
2,3-Dihydro-3-oxo-1,2-benzisothiazole
2,3-dihydro-3-oxo-1,2-Benzisothiazole
2-Thiobenzimide
Benzisothiazolinone
Benzisothiazolone
benzo[D]Isothiazol-3-one
BIT
Proxan
proxel
proxelpl
Proxel XL
Benzisothiazolinone
Benzisothiazolin-3-one
1,2-Benzisothiazolin-3-One
1,2-benzothiazol-3(2H)-one
1.2-Benzisothiazolin-3-one
1,2-BENZISOTHAZOL-3(2H)-One
1,2-benzisothiazoline-3-one
1,2-Benzisothiazol-3(2H)-One
1,2-Benzisothiazol-3-One (BIT)
1,2-Benzisothiazoline-3(2H)-one
1,2-Benzisothiazol-3(2H)-One HYDRATE
1,2-phenylpropylisothiazoline-3-ketone
1,2-Benzisothiazol-3(2H)-one
Benzisothiazol-3(2H)-one
Benzisothiazolin-3-one
1,2-Benzisothiazol-3-One
1,2-BIT
benzisothiazolone
1,2-Benzisothiazolin-3-one
1,2-Benzisothiazoline-3-one
2,3-Dihydro-3-oxo-1,2-benzisothiazole
Benzisothiazolone
BI
BIT
IPX
Proxel
Benzisothiazolinone
1,2-Benzisothiazolinone
2-Thiobenzimide
benzo[D]Isothiazol-3-one
C7H5NOS
Proxan
Proxel PL
1,2-Benzisothiazol-3(2H)-one
Canguard BIT 20DPG
Proxel BD 20
Proxel XL
Proxel BD
Canguard BIT 20AS-E
Proxel AQ
1,2-Benzisothiazol-3-one
BIT 20, GXL
Parmetol B 70
Denicide BIT
Proxel Ultra 5
1,2-Benzisothiazolone
Koralone B 119
BIT 10W
Benzo[d]isothiazol-3(2H)-one
1,2-Benzoisothiazol-3-one
Nuosept 491
Proxel Press Paste D
Nuosept 485
Acticide BW 20
Proxel GXL
3-Hydroxy-1,2-benzisothiazole
Benzisothiazolone
AQ
Benzisothiazolin-3-one
Denicide BIT 20N
Mergal 753
Nipacide BIT 20
Proxel BDN
Proxel HL 2
Parmetol D 11
Benzisothiazolinone
Apizas AP-DS
SD 202
Proxel PL
Acticide BIT
AQ (antibacterial)
Benzoisothiazol-3-one
2,3-Dihydrobenzisothiazol-3-one
Acticide B 20N
Bioban BIT 20DPG
Rocima 640
Nipacide BIT
1,2-Benzisothiazol-3(2H)-one
Nuosept 495
Proxel LV-S
Proxel LV
Troysan 1050
Canguard BIT
Benzocil
Canguard Ultra BIT 20LE
Proxel CF
Nipacide BIT 10W
Proxel TN
Topcide 600
San-aibac AP
1,2-Benzisothiazolin-3-one (6CI,7CI,8CI)
Preventol BIT 20D
BIT
Proxel GXL(S)
1,2-Benzisothiazol-3(2H)-one
1,2-Benzisothiazolin-3-one
1,2-Benzisothiazolone
3-Hydroxy-1,2-benzisothiazole
Proxel PL
Proxel Press Paste
Proxel XL 2
Proxel AB
Proxel GXL
Topcide 600
San-aibac AP
Proxel BDN
Proxel BD 20
1,2-Benzoisothiazol-3-one
XBINX
Proxel BD
Benzisothiazolone
Proxel CF
1,2-Benzisothiazol-3-one
Proxel TN
Bestcide 200K
Parmetol B 70
BIT
Proxel LV-S
Proxel Press Paste D
Apizas AP-DS
Proxel HL 2
Benzocil
Denicide BIT
SD 202
Nuosept 495
Nipacide BIT 20
Nuosept 491
Nipacide BIT
Canguard BIT
Nuosept 485
SD 202 (bactericide)
Benzo[d]isothiazol-3(2H)-one
Denicide BIT 20N
Acticide BIT
Benzoisothiazol-3-one
Bioban BIT 20DPG
Canguard BIT 20DPG
Proxel Ultra 5
Parmetol D 11
Canguard Ultra BIT 20LE
Koralone B 119
2,3-Dihydrobenzisothiazol-3-one
Benzisothiazolin-3-one
GXL
Preventol BIT 20D
Troysan 1050
Acticide BW 20
BIT 20
Nipacide BIT 10W
BIT 10W
Proxel XL
AQ
AQ (antibacterial)
Proxel GXL(S)
Canguard BIT 20AS-E
Acticide B 20N
Bioban Ultra Bit
Rocima 640
Proxel LV
Proxel AQ
Benzisothiazolinone
Mergal 753
Cation BIT 20
1,2-benzothiazoline-3-one
1,2-benzothiazolin-3-one
Acticide B 20
B 20
Bioban Ultra BIT 20
Microcave BIT
Nuosept BIT Technical
Promex 20D
Colipa P 96
BIT 20LE
Proxel K
2,3-Dihydro-1,2-benzothiazol-3-one
Proxel XL-II
Proxel XL 11
Biox P 520W
Nuosept 498G
P 520W
BIT 521
BIT 665
XL 2
Acticide BIT 20N
Preventol BIT 20N
AZVIII 40A
Nipacide BIT 40
Lamfix SK
40991-37-5
54392-14-2
75037-67-1
101964-01-6
552320-00-0
919284-21-2
934197-15-6
1094749-54-8
1148150-72-4
1376937-61-9
1399460-92-4
1623463-70-6
1813531-93-9
2376801-76-0


1,2-CYCLOHEXANE DI CARBOXYLIC ACID,DI-ISO NONYL ESTER (HEXAMOLL DINCH)
1,2-Cyclohexane dicarboxylic acid diisononyl ester; Diisononyl cyclohexane-1,2-dicarboxylate cas no:474919-59-0
1,2-DIBROMOETHANE
1,2-Dibromoethane, also known as ethylene dibromide (EDB), is an organobromine compound with the chemical formula C2H4Br2.
Although trace amounts occur naturally in the ocean, where 1,2-Dibromoethane is formed probably by algae and kelp, 1,2-Dibromoethane is mainly synthetic.
1,2-Dibromoethane appears as a clear colorless liquid with a sweetish odor.

CAS Number: 106-93-4
EC Number: 203-444-5
Chemical Formula: CH2BrCH2Br
Molar Mass: 187.87 g/mol

1,2-Dibromoethane is a dense colorless liquid with a faint, sweet odor, detectable at 10 ppm, and is a widely used and sometimes-controversial fumigant.
The combustion of 1,2-dibromoethane produces hydrogen bromide gas that is significantly corrosive.

1,2-Dibromoethane is density 18.1 lb /gal.
1,2-Dibromoethane is slightly soluble in water.

1,2-Dibromoethane is soluble in most organic solvents and thinners.
1,2-Dibromoethane is noncombustible.

1,2-Dibromoethane is very toxic by inhalation, skin absorption or ingestion.
1,2-Dibromoethane is used as a solvent, scavenger for lead in gasoline, grain fumigant and in the manufacture of other chemicals.

1,2-Dibromoethane is registered under the REACH Regulation and is manufactured in and / or imported to the European Economic Area, at ≥ 1 000 to < 10 000 tonnes per annum.
1,2-Dibromoethane is used in articles, in formulation or re-packing, at industrial sites and in manufacturing.

1,2-dibromoethane can effect the brain, damage skin, damage sperm in men, and cause death at very high exposures.
Breathing 1,2-dibromoethane can irritate the lungs causing coughing or shortness of breath.

Breathing higher levels of 1,2-dibromoethane can cause a build up of fluids in the lungs (pulmonary oedema).
High exposures can cause dizziness, drowsiness, headache, vomiting and unconsciousness.

The International Agency for Research on Cancer classifies 1,2-dibromoethane as a 'probable human carcinogen'.
Worksafe Australia categorises 1,2-dibromoethane as a 'Probable human carcinogen'.
Other long-term effects of exposure to 1,2-dibromoethane are damage to the liver and kidneys and bronchitis.

1,2-dibromoethane is widely used as a bromine source in organic synthesis.
1,2-Dibromoethane is utilized as a fumigant for treatment of logs for termites and beetles, for control of moths in beehives.

1,2-Dibromoethane finds the application to make vinyl bromide, a precursor to some fire retardants.
1,2-Dibromoethane is used as an intermediate in the preparation of dyes and pharmaceuticals.
1,2-Dibromoethane is also used as a lead scavenger in antiknock mixtures added to gasolines.

1,2-Dibromoethane, primarily a scavenger of lead compounds in gasoline, has also been used extensively as a fumigant for 1,2-Dibromoethane chemical and biocidal properties as a soil sterilant and a spot fumigant or control agent in grain milling machinery, grain, and in fruit and vegetable infestations.
In addition to 1,2-Dibromoethane tumor-causing capabilities in rats and mice; 1,2-Dibromoethane has been documented to cause changes in sperm morphology in bulls.

Spermatids appear to be the target for this compound and 1,2-Dibromoethane has been shown to affect spermatogenesis in rat, bulls and rams and to affect fertility in fowl.
Human studies indicate that 1,2-Dibromoethane may harm sperm and decrease fertility.
While 1,2-Dibromoethane is a reproductive toxin, 1,2-Dibromoethane does not appear to be teratogenic.

1,2-Dibromoethane is a manufactured chemical.
1,2-Dibromoethane also occurs naturally in small amounts in the ocean where 1,2-Dibromoethane is formed, probably by algae and kelp.

1,2-Dibromoethane is a colorless liquid with a mild, sweet odor.
Other names for 1,2-dibromoethane are ethylene dibromide, EDB, and glycol bromide.
Trade names include Bromofume and Dowfume.

1,2-Dibromoethane has been used as a pesticide in soil, and on citrus, vegetable, and grain crops.
Most of these uses have been stopped by the Environmental Protection Agency (EPA) since 1984.

Another major use was as an additive in leaded gasoline.
However, since leaded gasoline is now banned, 1,2-Dibromoethane is no longer used for this purpose.
1,2-Dibromoethane is uses today include treatment of logs for termites and beetles, control of moths in beehives, and as a preparation for dyes and waxes.

1,2-Dibromoethane is a colorless liquid with a strong odor that was once used as a pesticide.
In addition to being used to kill insects and other pests, 1,2-Dibromoethane was also added to gasoline.

1,2-Dibromoethane is mostly manmade but may be found naturally in the ocean in very small amounts.
1,2-Dibromoethane vaporizes and easily and will mix easily with water.

Small amounts of 1,2-Dibromoethane can be found in soil near hazardous waste sites.
1,2-Dibromoethane can also be found on agricultural fields or in areas once used for farming.

While 1,2-Dibromoethane remains in groundwater and soil for a long time, 1,2-Dibromoethane breaks down quickly in the air.
Generally, environmental levels are very low.

In the 1970s and early 1980s, 1,2-Dibromoethane was used to kill insects and worms on fruits, vegetables and grain crops.
1,2-Dibromoethane was also used to protect grass on golf courses and as an additive in leaded gasoline.
Most of these uses stopped in 1984.

1,2-dibromoethane is a largely obsolete insecticide.
1,2-Dibromoethane is not approved for use in many countries.
1,2-Dibromoethane is highly soluble in water and volatile, classified as a POP.

1,2-Dibromoethane can be very persistent in soil systems depending on soil type and environmental conditions.
1,2-Dibromoethane also has the potential to leach to groundwater.

1,2-bromoethane tends to have a low to medium toxicity to most biodiversity although there are gaps in data.
1,2-Dibromoethane has a moderate level of oral toxicity to humans, is a probable carcinogen and may also affect human fertility/reproduction.

1,2-Dibromoethane (ethylene dibromide) is commonly used as an ‘entrainment reagent’ to chemically activate magnesium in Grignard reagents.
1,2-Dibromoethane reacts with magnesium to expose a clean, reactive surface capable of converting otherwise unreactive halides into Grignard reagents.

1,2-Dibromoethane has many advantages over other entrainment agents.
1,2-Dibromoethane reacts with magnesium to give MgBr2 and ethylene as byproducts and hence does not introduce a second Grignard reagent to the system.

1,2-Dibromoethane is also a useful reagent for activating zinc.
1,2-Dibromoethane can be used as a source of electrophilic bromine for bromination of carbanions and also acts as an alkylating agent with many enolates.

1,2-Dibromoethane is a precursor to numerous 1,2-disubstituted ethane derivatives, for example 1,2-ethanedithiol.
In addition, 1,2-Dibromoethane acts as a sacrificial reductant in the conversion of thiocarbonyl compounds to carbonyl compounds and as an excellent oxidizer in domino carbopalladation–cyclization processes.

1,2-Dibromoethane was used as a scavenger of lead antiknock agents in gasoline and as a soil fumigant for fumigation of grains and fruits until the early 1980s.
1,2-Dibromoethane is a useful intermediate in the synthesis of dyes and pharmaceuticals.

Applications of 1,2-Dibromoethane:
1,2-dibromoethane is widely used as a bromine source in organic synthesis.
1,2-Dibromoethane is utilized as a fumigant for treatment of logs for termites and beetles, for control of moths in beehives.

1,2-Dibromoethane finds the application to make vinyl bromide, a precursor to some fire retardants.
1,2-Dibromoethane is used as an intermediate in the preparation of dyes and pharmaceuticals.
1,2-Dibromoethane is also used as a lead scavenger in antiknock mixtures added to gasolines.

1,2-Dibromoethane can be used:
To prepare functionalized styrenes by reacting with arylboronic acids via palladium-catalyzed cross-coupling reaction.
Along with potassium iodide(KI) for α-acyloxylation of ketones with carboxylic acids without the use of transition metals and strong oxidants.

In the synthesis of 5-aryl/alkyl-2-vinyl-2H-tetrazoles through one-pot regioselective vinylation of 5-tetrazoles without a metal catalyst or organocatalyst.
In the preparation of aryltriethoxysilane using aryl bromide, Mg powder and tetraethyl orthosilicate through sonochemical Barbier-type reaction.
As a reoxidizing reagent along with a silver catalyst in the regioselective carbomagnesiation of terminal alkynes with alkyl Grignard reagents.

Uses of 1,2-Dibromoethane:
1,2-Dibromoethane is used as an ethylation reagent and solvent; Used as a nematicide and a synthetic plant growth regulator in agriculture.
1,2-Dibromoethane is used as an intermediate for synthesizing diethylbromophenylacetonitrile in medicine.

1,2-Dibromoethane is used as a flame retardant for bromoethylene and vinylidene dibromobenzene.
1,2-Dibromoethane is also used as the elimination agent of lead in gasoline anti-seismic liquid, metal surface treatment agent and fire extinguishing agent.

1,2-Dibromoethane was used in the past as an additive to leaded gasoline.
However, since leaded gasoline is now banned, 1,2-Dibromoethane is no longer used for this purpose.
1,2-Dibromoethane is currently used in the treatment of felled logs for bark beetles and termites, and control of wax moths in beehives.

1,2-Dibromoethane is used as a fumigant, a solvent, a scavenger for lead in leaded gasoline, and an intermediate in organic synthesis.
No longer used in the United States as a soil or grain fumigant.

Restricted Notes:
1,2-Dibromoethane is use as fumigant suspended by EPA due to toxicity and ground water contamination.

1,2-Dibromoethane is used in soil and grain fumigant.
1,2-Dibromoethane is used as lead scavenger in anti-knock gasolines.

1,2-Dibromoethane is a versatile reagent in organic synthesis.
Major uses in this category are as an intermediate for pharmaceuticals (tetramisole, theodrenaline), herbicides (diquat dibromide), and dyes (Vat Blue 16), where 1,2-Dibromoethane provides an ''ethylene bridge'' in the molecular structure.

1,2-Dibromoethane is used as a nonflammable solvent for resins, gums, and waxes.
Additionally, EDB can be used as a raw material in the synthesis of chemicals such as vinyl bromide (a precursor of flame-retardants) and styrenic block copolymers.

1,2-Dibromoethane was once widely used as an additive in leaded gasoline and a pesticide, however, today 1,2-Dibromoethane's use is restricted to only certain pesticides (treatment of logs for termites and beetles, control of moths in beehives) and dye preparations.

Uses at industrial sites of 1,2-Dibromoethane:
1,2-Dibromoethane is used in the following products: fuels, laboratory chemicals, pharmaceuticals, pH regulators and water treatment products, photo-chemicals and polymers.
1,2-Dibromoethane has an industrial use resulting in manufacture of another substance (use of intermediates).

1,2-Dibromoethane is used in the following areas: formulation of mixtures and/or re-packaging.
1,2-Dibromoethane is used for the manufacture of: chemicals.

Release to the environment of 1,2-Dibromoethane can occur from industrial use: of substances in closed systems with minimal release, as an intermediate step in further manufacturing of another substance (use of intermediates), manufacturing of 1,2-Dibromoethane, in processing aids at industrial sites, as processing aid and formulation of mixtures.
Other release to the environment of 1,2-Dibromoethane is likely to occur from: indoor use (e.g. machine wash liquids/detergents, automotive care products, paints and coating or adhesives, fragrances and air fresheners).

Industry Uses of 1,2-Dibromoethane:
Fuel agents

Consumer Uses of 1,2-Dibromoethane:
Fuel agents

Preparation and Use of 1,2-Dibromoethane:
1,2-Dibromoethane is produced by the reaction of ethylene gas with bromine, in a classic halogen addition reaction:
CH2=CH2 + Br2 → BrCH2–CH2Br

Historically, 1,2-dibromoethane was used as a component in anti-knock additives in leaded fuels.
1,2-Dibromoethane reacts with lead residues to generate volatile lead bromides, thereby preventing fouling of the engine with lead deposits.

Pesticide:
1,2-Dibromoethane has been used as a pesticide in soil and on various crops.
The applications were initiated after the forced retirement of 1,2-dibromo-3-chloropropane (DBCP).

Most of these uses have been stopped in the U.S.
1,2-Dibromoethane continues to be used as a fumigant for treatment of logs for termites and beetles, for control of moths in beehives.

Reagent:
1,2-Dibromoethane has wider applications in the preparation of other organic compounds including those carrying modified diazocine rings and vinyl bromide that is a precursor to some fire retardants.

In organic synthesis, 1,2-dibromoethane is used as a source of bromine to brominate carbanions and to activate magnesium for certain Grignard reagents.
In the latter process, 1,2-dibromoethane reacts with magnesium, producing ethene and magnesium bromide, and exposes a freshly etched portion of magnesium to the substrate.

Methods of Manufacturing of 1,2-Dibromoethane:
1,2-Dibromoethane is made from ethylene and bromine.
1,2-Dibromoethane is also made from acetylene and hydrobromic acid.

1,2-Dibromoethane is manufactured via uncatalyzed, liquid-phase bromination of ethylene.
Gaseous ethylene is brought into contact with bromine by various methods, allowing for dissipation of the heat of the reaction.

The commercial manufacturing process is carried out in a glass column reactor consisting of a lower packed section and an unpacked upper section containing a number of superimposed, high-capacity, coil heat exchangers.
Liquid bromine is continuously added above the packed section while a slight excess of ethylene is continuously fed countercurrently from the bottom of the packed section.

The exothermic reaction between ethylene and bromine occurs in the liquid phase on the surfaces of the cooling coils, and heat is removed at a rate sufficient to maintain a maximum temperature of 100 °C and the section of the column.
Some reaction also occurs in the gas phase above the bromine feed where product is condensed and separated from the vent gas (ethylene, hydrogen bromide, and interact material).

As the crude liquid product passes downward through the packed section, 1,2-Dibromoethane provides a contacting surface for rising ethylene to convert any residual dissolved bromine.
Ethylene dibromide is continuously withdrawn from the reactor into a hold-up tank where 1,2-Dibromoethane is irradiated with ultraviolet light to eliminate minor amounts of unconverted starting materials.

Nature of 1,2-Dibromoethane:
At room temperature and atmospheric pressure for a volatile colorless liquid, there are special sweet.

Boiling point 131.4 °c.
Melting point 9.9 °c. Freezing point -8.3 °c.
Refractive index 5380.
Viscosity (20 C) 11 727mPa.s.
Surface tension (20 °c) 38.91mN/m.
The relative density was 2.1792.
Vapor pressure (20 °c) 1-133kPa.

Relatively stable at room temperature, but in light can slowly decompose into toxic substances.
Soluble in about 250 times of water, and ethanol, ether, carbon tetrachloride, benzene, gasoline and other organic solvents miscible, and the formation of azeotrope.

Properties of 1,2-Dibromoethane:
1,2-Dibromoethane is a colorless, heavy (d = 2.18 g·cm–3) liquid with a mild, chloroform-like sweaty odor (mp 9–10 °C; bp 131.4 °C).
1,2-Dibromoethane is miscible with all common organic solvents and itself a good solvent for resins, gums, and waxes.

In the Cristol procedure for bromination of bridgehead acids, 1,2-dibromoethane is used as a solvent instead of CCl4 to avoid the formation of chloride byproduct.
Tests on animals indicated that over-exposure to this reagent may cause reproductive disorders.
For humans 1,2-Dibromoethane can cause damages to liver, kidneys, and lungs.

Health effects of 1,2-Dibromoethane:
1,2-Dibromoethane causes changes in the metabolism and severe destruction of living tissues.
The known empirical LD50 values for 1,2-dibromoethane are 140 mg kg−1 (oral, rat), and 300.0 mg kg−1 (dermal, rabbit).
1,2-Dibromoethane is a known carcinogen, with pre-1977 exposure levels ranking 1,2-Dibromoethane as the most carcinogenic substance on the HERP Index.

The effects on people of breathing high levels are not known, but animal studies with short-term exposures to high levels caused depression and collapse, indicating effects on the brain.
Changes in the brain and behavior were also seen in young rats whose male parents had breathed 1,2-dibromoethane, and birth defects were observed in the young of animals that were exposed while pregnant.

1,2-Dibromoethane is not known to cause birth defects in humans.
Swallowing has caused death at 40ml doses.

Safety of 1,2-Dibromoethane:
vapor toxic, high concentration can cause anesthesia, general anesthesia can cause pulmonary edema death.
The lowest poisoning concentration in the air 25*10-6.

Inhalation lethal concentration was 1000 × 10-6.
1,2-Dibromoethane is carcinogenic to rodents.

The maximum allowable concentration in air is 130 × 10 -9.
The vapor irritates the respiratory tract, damages the liver and kidneys.

Liquid contact with the skin can cause ulceration.
When contaminated, should immediately take off the coat, dry the skin.
Production sites should be well ventilated, equipped with gas masks and protective clothing.

Storage and transportation conditions and protection requirements are the same as (a) methyl bromide, and avoid contact with aluminum, magnesium, potassium, sodium, or contact with strong alkali and chlorine-rich substances.
The Joint International Air Transport Code is article 727 poison B.

First Aid Measures of 1,2-Dibromoethane:

Eyes:
First check the victim for contact lenses and remove if present.
Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center.

Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician.
IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Skin:
IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing.
Gently wash all affected skin areas thoroughly with soap and water.

IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop.
IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas.

Inhalation:
IMMEDIATELY leave the contaminated area.
Take deep breaths of fresh air.

IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop.
Provide proper respiratory protection to rescuers entering an unknown atmosphere.

Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used.
If not available, use a level of protection greater than or equal to that advised under Protective Clothing.

Ingestion:
If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center.
Generally, the induction of vomiting is NOT recommended outside of a physician's care due to the risk of aspirating the chemical into the victim's lungs.

However, if the victim is conscious and not convulsing and if medical help is not readily available, consider the risk of inducing vomiting because of the high toxicity of the chemical ingested.
Ipecac syrup or salt water may be used in such an emergency.

IMMEDIATELY transport the victim to a hospital.
If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body.

DO NOT INDUCE VOMITING.
IMMEDIATELY transport the victim to a hospital.

Other:
Since this chemical is a known or suspected carcinogen you should contact a physician for advice regarding the possible long term health effects and potential recommendation for medical monitoring.
Recommendations from the physician will depend upon the specific compound, 1,2-Dibromoethane chemical, physical and toxicity properties, the exposure level, length of exposure, and the route of exposure.

Fire Fighting of 1,2-Dibromoethane:

Smaşş Fire:
Dry chemical, CO2 or water spray.

Large Fire:
Dry chemical, CO2, alcohol-resistant foam or water spray.
If 1,2-Dibromoethane can be done safely, move undamaged containers away from the area around the fire.
Dike runoff from fire control for later disposal.

Fire Involing Tanks or Car/Trailer Loads:
Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles.
Do not get water inside containers.

Cool containers with flooding quantities of water until well after fire is out.
Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank.
ALWAYS stay away from tanks engulfed in fire.

Accidental Release Measures of 1,2-Dibromoethane:

Immediate Precautionary Measure:
Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.

Fire:
If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions.
Also, consider initial evacuation for 800 meters (1/2 mile) in all directions.

Spillage Disposal of 1,2-Dibromoethane:

Personal protection:
Filter respirator for organic gases and vapours adapted to the airborne concentration of 1,2-Dibromoethane.
Do NOT let this chemical enter the environment.

Collect leaking and spilled liquid in sealable containers as far as possible.
Absorb remaining liquid in sand or inert absorbent.
Then store and dispose of according to local regulations.

Accidental Release Measures:

Personal precautions, protective equipment and emergency procedures:
Wear respiratory protection.
Avoid breathing vapors, mist or gas.

Ensure adequate ventilation.
Evacuate personnel to safe areas.

Environmental precautions:
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.

Methods and materials for containment and cleaning up:
Soak up with inert absorbent material and dispose of as hazardous waste.
Keep in suitable, closed containers for disposal.

Ventilate area of spill or leak.
If in liq form, collect for reclamation or absorb in vermiculite, dry sand, earth, or similar material.
If in solid form, collect in most convenient and safe manner for reclamation.

Precautions For "Carcinogens":
A high-efficiency particulate arrestor (HEPA) or charcoal filters can be used to minimize amt of carcinogen in exhausted air ventilated safety cabinets, lab hoods, glove boxes or animal rooms.
Filter housing that is designed so that used filters can be transferred into plastic bag without contaminating maintenance staff is avail commercially.

Filters should be placed in plastic bags immediately after removal.
The plastic bag should be sealed immediately.
The sealed bag should be labelled properly.

Waste liquids should be placed or collected in proper containers for disposal.
The lid should be secured & the bottles properly labelled.

Once filled, bottles should be placed in plastic bag, so that outer surface is not contaminated.
The plastic bag should also be sealed & labelled.
Broken glassware should be decontaminated by solvent extraction, by chemical destruction, or in specially designed incinerators.

Identifiers of 1,2-Dibromoethane:
CAS: 106-93-4
EC Number: 203-444-5
Molar Mass: 187.87 g/mol
Chemical Formula: CH₂BrCH₂Br
Hill Formula: C₂H₄Br₂

CAS number: 106-93-4
EC index number: 602-010-00-6
EC number: 203-444-5
Hill Formula: C₂H₄Br₂
Chemical formula: CH₂BrCH₂Br
Molar Mass: 187.87 g/mol
HS Code: 2903 62 00

CAS Number: 106-93-4
Abbreviations: EDB
Beilstein Reference: 605266
ChEBI: : CHEBI:28534
ChEMBL: ChEMBL452370
ChemSpider: 7551
ECHA InfoCard: 100.003.132
EC Number: 203-444-5
KEGG: C11088
MeSH: Ethylene+Dibromide
PubChem CID: 7839
RTECS number: KH9275000
UNII: 1N41638RNO
UN number: 1605
CompTox Dashboard (EPA): DTXSID3020415
InChI: InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2
Key: PAAZPARNPHGIKF-UHFFFAOYSA-N
SMILES: BrCCBr

CAS: 106-93-4
Molecular Formula: C2H4Br2
Molecular Weight (g/mol): 187.862
MDL Number: MFCD00000233
InChI Key: PAAZPARNPHGIKF-UHFFFAOYSA-N
PubChem CID: 7839
ChEBI: CHEBI:28534
IUPAC Name: 1,2-dibromoethane
SMILES: C(CBr)Br

Typical Properties of 1,2-Dibromoethane:
Chemical formula: C2H4Br2
Molar mass: 187.862 g·mol−1
Appearance: Colorless liquid
Odor: faintly sweet
Density: 2.18 g mL−1
Melting point: 9.4 to 10.2 °C; 48.8 to 50.3 °F; 282.5 to 283.3 K
Boiling point: 129 to 133 °C; 264 to 271 °F; 402 to 406 K
Solubility in water: 0.4% (20 °C)
log P: 2.024
Vapor pressure: 1.56 kPa
Henry's law constant (kH): 14 μmol Pa kg−1
Refractive index (nD): 1.539

Boiling point: 132 °C (1013 hPa)
Density: 2.18 g/cm3 (25 °C)
Ignition temperature: 490 °C
Melting Point: 10 °C
Vapor pressure: 72 hPa (55.0 °C)
Solubility: 4.04 g/l

Vapor density: ~6.5 (vs air)
Quality Level: 200
Vapor pressure: 11.7 mmHg ( 25 °C)
Assay: 98%
Form: liquid
Refractive index: n20/D 1.539 (lit.)
bp: 131-132 °C (lit.)
mp: 8-11 °C (lit.)
Density: 2.18 g/mL at 25 °C (lit.)
SMILES string: BrCCBr
InChI: 1S/C2H4Br2/c3-1-2-4/h1-2H2
InChI key: PAAZPARNPHGIKF-UHFFFAOYSA-N

Molecular Weight: 187.86
XLogP3: 2
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Rotatable Bond Count: 1
Exact Mass: 187.86593
Monoisotopic Mass: 185.86798
Topological Polar Surface Area: 0 Ų
Heavy Atom Count: 4
Formal Charge: 0
Complexity: 6
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Specifications of 1,2-Dibromoethane:
Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 2.175 - 2.180
Water (K. F.): ≤ 0.10 %

Melting Point: 9°C to 10°C
Density: 2.179
Boiling Point: 132°C
Flash Point: None
Linear Formula: BrCH2CH2Br
UN Number: UN1605
Merck Index: 14,3796
Refractive Index: 1.5385
Quantity: 1000 g
Solubility Information: Miscible with alcohol,acetone,benzene,diethyl ether and ethyl acetate. Slightly miscible with water.
Sensitivity: Light sensitive
Formula Weight: 187.87
Percent Purity: 99%
Chemical Name or Material: 1,2-Dibromoethane

Thermochemistry of 1,2-Dibromoethane:
Heat capacity (C): 134.7 J K−1 mol−1
Std molar entropy (S⦵298): 223.30 J K−1 mol−1
Std enthalpy of combustion (ΔcH⦵298): −1.2419–−1.2387 MJ mol−1

Related compounds of 1,2-Dibromoethane:

Related alkanes:
Dibromomethane
Bromoform
Tetrabromomethane
1,1-Dibromoethane
Tetrabromoethane
1,2-Dibromopropane
1,3-Dibromopropane
1,2,3-Tribromopropane

Names of 1,2-Dibromoethane:

Preferred IUPAC name:
1,2-Dibromoethane

Regulatory process names:
1,2-Dibrom-ethan
1,2-dibrom-ethan
1,2-Dibromethan
1,2-dibromoethane
1,2-Dibromoethane
1,2-dibromoethane
1,2-dibromoethane (EDB)
ETHYLENE DIBROMIDE
Ethylene dibromide

Translated names:
1,2-dibrometan (no)
1,2-dibrometan (ro)
1,2-dibrometan (sv)
1,2-dibrometanas (lt)
1,2-dibromethan (cs)
1,2-dibromethan (da)
1,2-Dibromethan (de)
1,2-dibrometāns (lv)
1,2-dibromoetaan (et)
1,2-dibromoetan (hr)
1,2-dibromoetan (pl)
1,2-dibromoetan (sl)
1,2-dibromoetano (es)
1,2-dibromoetano (it)
1,2-dibromoetano (pt)
1,2-dibromoéthane (fr)
1,2-dibroomethaan (nl)
1,2-dibrómetán (hu)
1,2-dibrómetán (sk)
1,2-etyleenidibromidi (fi)
1,2-etylendibromid (no)
1,2-etylendibromid (sv)
1,2-διβρωμοαιθάνιο (el)
1,2-дибромоетан (bg)
bromek etylenu (pl)
dibromek etylenu (pl)
Ethylendibromid (de)

CAS name:
Ethane, 1,2-dibromo-

IUPAC name:
1,2-Dibromethan
1,2-DIBROMOETHANE
1,2-Dibromoethane
1,2-dibromoethane
1,2-dibromoethane
Dibromoethane
Ethylene dibromide

Other names:
Ethylene dibromide
Ethylene bromide
Glycol bromide

Other identifier:
106-93-4

Synonyms of 1,2-Dibromoethane:
1,2-Dibromoethane
106-93-4
ETHYLENE DIBROMIDE
Ethylene bromide
sym-Dibromoethane
Ethane, 1,2-dibromo-
alpha,beta-Dibromoethane
Bromuro di etile
1,2-Dibromaethan
1,2-Dibroomethaan
1,2-Ethylene dibromide
Aadibroom
Bromofume
Sanhyuum
Soilbrom
Soilfume
Celmide
Edabrom
Kopfume
Unifume
Nefis
Dibromure D'ethylene
Fumo-gas
Glycol Dibromide
Iscobrome D
Dowfume EDB
Soilbrom-90ec
alpha,omega-Dibromoethane
Soilbrom-40
Soilbrom-85
Soilbrom-90
Dowfume 40
Dowfume W-8
Pestmaster edb-85
Soilbrom-100
Aethylenbromid
Dwubromoetan
Dowfume W-90
Dowfume W-100
E-D-Bee
Rcra waste number U067
1,2-Dibromoetano
EDB-85
NCI-C00522
ENT 15,349
UN 1605
1,2-dibromo-ethane
EDB
.alpha.,.beta.-Dibromoethane
CHEBI:28534
1N41638RNO
1,2,Dibromoethane
MFCD00000233
DBE
1,2-Dibromomethane
Dowfume W-85
Caswell No. 439
Dwubromoetan [Polish]
Aethylenbromid [German]
Bromuro di etile [Italian]
1,2-Dibromaethan [German]
1,2-Dibroomethaan [Dutch]
CAS-106-93-4
1,2 Dibromoethane
1,2-Dibromoetano [Italian]
CCRIS 295
Dowfume W85
Dibromure d'ethylene [French]
Ethylene dibromide [BSI:ISO]
HSDB 536
Dibromure d'ethylene [ISO-French]
EINECS 203-444-5
UN1605
RCRA waste no. U067
EPA Pesticide Chemical Code 042002
BRN 0605266
ethylenebromide
UNII-1N41638RNO
ethylenedibromide
AI3-15349
1,2dibromoethane
1,2-dibromethane
Soilbrome-85
1.2-dibromoethane
1,2,-dibromethane
1, 2-dibromoethane
1,2 dibromo ethane
1,2-dibromo ethane
BrCH2CH2Br
CH2BrCH2Br
1,2,-dibromo ethane
Br(CH2)2Br
EC 203-444-5
SCHEMBL1698
1,2-Dibromoethane, 98%
4-01-00-00158 (Beilstein Handbook Reference)
BIDD:ER0281
.alpha.,.omega.-Dibromoethane
CHEMBL452370
1,2-Dibromoethane, >=99%
ETHYLENE DIBROMIDE [MI]
DTXSID3020415
ETHYLENE DIBROMIDE [ISO]
ETHYLENE DIBROMIDE [HSDB]
ETHYLENE DIBROMIDE [IARC]
AMY25519
BCP27504
ZINC8234381
Tox21_201427
Tox21_302879
STL163551
AKOS000118755
NCGC00091279-01
NCGC00091279-02
NCGC00091279-03
NCGC00256607-01
NCGC00258978-01
BP-13439
Ethylene dibromide [UN1605] [Poison]
DB-002363
D0180
FT-0606341
FT-0694297
1,2-Dibromoethane 100 microg/mL in Methanol
1,2-Dibromoethane, purum, >=98.0% (GC)
EN300-19277
1,2-Dibromoethane 1000 microg/mL in Methanol
1,2-Dibromoethane 5000 microg/mL in Methanol
Q161471
J-503807
1,2-Dibromoethane, PESTANAL(R), analytical standard
F0001-0129
DIBROMOETHANE
DOWFUME W-85(R)
1,2-Dibromethan
1.2-Dibromethane
1,2-Dibromaethan
1,2-Dibromoetano
ETHYLENE BROMIDE
1,2-dibromethane
GLYCOL DIBROMIDE
1,2-DIBROMOETANE
1,2-Dibromoethane
1,2-Dibroomethaan
1,2-DIBROMOETHANE
AKOS BBS-00004248
1,2-dibromo-ethan
ETHYLENE DIBROMIDE
Ethylene dibromide
1,2-dibromoethane (EDB)
1,2-dibromoethane,glycoldibromide
Androst-5-ene-3B,17B-diol-17a-ethinyl
1,2-Dichlorobenzene
o-Chlorobenzene; 1,2-Dichlorobenzene; o-Dichlorobenzol; ODCB; Chloroden; 1,2-Dichloorbenzeen (Dutch); 1,2-Dichlor-benzol (German); 1,2-Diclorobenzene (Italian); o-Phenylenedichloride; Dilantin DB; Dowtherm E; Dizene; DCB CAS NO: 95-50-1
1,2-DIHYDROXYPENTANE
1,2-Dihydroxypentane is a specific raw material used by manufacturers of green cosmetic products.
1,2-Dihydroxypentane is a synthetic compound in the chemical group called 1,2 glycol.
1,2-Dihydroxypentane is a clear, slightly viscous, colorless, odorless liquid and soluble in water.

CAS Number: 5343-92-0
EC Number: 226-285-3
Molecular Formula (1,2-Dihydroxypentane): C5H12O2
Molecular Weight: 104.15 g/mol

Synonyms: 1,2-Pentanediol, Pentane-1,2-diol, 1,2-Dihydroxypentane, 5343-92-0, Pylethylene Glycol, glycol, Glycol, Green Protector, 1,2-Dihydroxypentane, MFCD00010736, 1,a2-aPentanediol, EINECS 226-285-3, BRN 1719151, AI3-03317, NSC 513, 108340-61-0, ACMC-20mbh5, ACMC-1AXDB, EC 226-285-3, 1,2-Pentanediol, 96%, SCHEMBL62155, 3-01-00-02191 (Beilstein Handbook Reference), 1,2-Pentanediol, (2R)-, NSC513, WCVRQHFDJLLWFE-UHFFFAOYSA-, DTXSID10863522, NSC-513, AKOS009156977, AS-40006, SY032914, CS-0017222, FT-0606477, FT-0690841, P1178, 3-(2-NITRO-PHENYL)-ISOXAZOL-5-YLAMINE, 98484-EP2372017A1, A829586, Q3374899

1,2-Dihydroxypentane is a synthetic compound that belongs to the chemical group called 1,2 glycol.
1,2-Dihydroxypentane is a transparent liquid, slightly viscous, colorless, odorless and soluble in water as well as oil.

1,2-Dihydroxypentane is naturally derived from sugar cane.
1,2-Dihydroxypentane is used in many cosmetic products.
1,2-Dihydroxypentane is also referred to by the names 1,2- dihydroxypentane, 1,2-pentanediol, and pentane-1,2-diol.

1,2-Dihydroxypentane is a natural polyhydric alcohol and therefore has the ability to bind water.
This property can be used to moisturize the skin.

Skin is better hydrated, looks significantly brighter and feels better.
At the same time, 1,2-Dihydroxypentane naturally helps inhibit the growth of microorganisms on the skin and can therefore be used as an alternative preservative.

1,2-Dihydroxypentane is soluble in water, acts as an extractant and solvent, is biodegradable, can be used in the pH range of 3-10, and is colorless and odorless.
1,2-Dihydroxypentane is made from natural sugar cane bagasse and is therefore ideal for natural cosmetics.

1,2-Dihydroxypentane is a specific raw material used by manufacturers of green cosmetic products.
The most important feature of this preservative is that 1,2-Dihydroxypentane is obtained from agricultural products. For example, corn and sugar cane.
1,2-Dihydroxypentane is also commonly called pylene glycol.

1,2-Dihydroxypentane is a synthetic compound in the chemical group called 1,2 glycol.
There are two alcohol groups attached to the 1st and 2nd carbon.

1,2-Dihydroxypentane is a clear, slightly viscous, colorless, odorless liquid and soluble in water.
1,2-Dihydroxypentane is also obtained naturally from sugar cane.
1,2-Dihydroxypentane is also fat-soluble and used in many cosmetic products.

1,2-Dihydroxypentane is a natural diol derived from sugar cane bagasse's remaining waste, but a cheap synthetic analog also available in the market.
This multifunctional ingredient is a colorless, odorless, slightly viscous liquid that serves as a moisturizer, solubilizer, preservative, emulsion stabilizer, etc.

1,2-Dihydroxypentane is a well-known moisturizer due to the humectant properties of the molecule, proven scientifically by in-vivo studies.
Also, 1,2-Dihydroxypentane is an excellent solubilizer, as 1,2-Dihydroxypentane helps to solubilize many challenging ingredients, including fragrances.
1,2-Dihydroxypentane can also increase the clarity of translucent formulations like aqueous gels and toners.

1,2-Dihydroxypentane protects products from harmful bacteria and improves shelf-life, working synergistically with many preservatives, boosting their efficacy and thus helping to reduce their dose.
In addition, Pentane-1,2-diol stabilizes formulations, especially oil-in-water emulsions (as a co-emulsifier with an HLB value of 8.4), which helps reduce the particle size of emulsions, thus providing less coalescence and better stability.

This diol enhances the bioavailability of other ingredients (proven by ex-vivo study), boosting the activity of both lipophilic and hydrophilic actives.
Furthermore, 1,2-Dihydroxypentane improves pigment distribution, makes whiter and shinier emulsions, promotes penetration into the skin, and improves the efficiency of cooling agents.

Incorporated in sun care applications, 1,2-Dihydroxypentane enhances water resistance and the entire safety of the formula used even in SPF 50+ products.
1,2-Dihydroxypentane also can control the viscosity and texture of the final product.
In skin and hair care products and decorative cosmetics, 1,2-Dihydroxypentane concentration can reach up to 5%.

1,2-Dihydroxypentane is used in formulations as an emulsion stabilizer, solvent and a broad spectrum antimicrobial.
1,2-Dihydroxypentane also helps moisturize and has a light, elegant feel to it.

1,2-Dihydroxypentane will leave the skin soft and smooth.
1,2-Dihydroxypentane can help to solubilize and stabilize lipophilic ingredients in aqueous solutions.

1,2-Dihydroxypentane shows a broad spectrum antimicrobial activity against yeasts, moulds, and bacteria.
1,2-Dihydroxypentane disturbs the integrity of microbial cell membranes, a mechanism of action that is unlikely to be affected by resistance.

Being a non-ionic ingredient, the anti-microbial effect of 1,2-Dihydroxypentane is largely pH-independent.
1,2-Dihydroxypentane can act as a standalone antimicrobial protection agent.

In addition, 1,2-Dihydroxypentane can be easily combined with other classical or non-classical antimicrobial agents, to boost their preservation effects.
1,2-Dihydroxypentane a synthetic, low molecular weight solvent and skin-conditioning agent.

1,2-Dihydroxypentane is commonly used as a skin conditioning agent, due to 1,2-Dihydroxypentane (1,2 pentanediol)’s ability to help the skin attract and retain moisture.
As such, 1,2-Dihydroxypentane falls into a category of skin care ingredients called humectants.

1,2-Dihydroxypentane is synthetic humectant used in cosmetics and beauty products that is also secondarily used as a solvent and preservative.
1,2-Dihydroxypentane is both water and oil-soluble and 1,2-Dihydroxypentane can have moisture-binding and 1,2-Dihydroxypentane can have antimicrobial properties.

1,2-Dihydroxypentane also has some anti microbial properties, which can make 1,2-Dihydroxypentane a valuable addition to products that are susceptible to contamination of microorganisms.
1,2-Dihydroxypentane is used as a solvent in chemicals produced to soften and smooth the skin in the cosmetic industry.

1,2-Dihydroxypentane is used in sunscreens.
1,2-Dihydroxypentane is a skin moisturizer.

1,2-Dihydroxypentane preserves moisture in the skin, helps to preserve elasticity and moisture of the skin.
Pethylene glycol has an antimicrobial effect.
Pethylene glycol Lipid and dissolved lipophilic actives can be used in penetration enhancing creams and lotions.

Pethylene glycol Hydrogenated phosphotidylcholine is a high viscosity base composed of protected lipids and glycerol.
1,2-Dihydroxypentane is an antimicrobial, chemically produced emulsifier.

Pentilen Glycol has been included in the German Pharmaceutical Codex since 2009.
However, 1,2-Dihydroxypentane is not only approved in Germany, but 1,2-Dihydroxypentane is also approved as a cosmetic active ingredient worldwide.

1,2-Dihydroxypentane is initially based on the immature juice of sugar beets, while synthetic production is standard.
1,2-Dihydroxypentane is used in day and night creams.

1,2-Dihydroxypentane is a complex system for paraben esters-free cosmetic and personal care products.
1,2-Dihydroxypentane is a multifunctional agent that has excellent efficacy as a biostatic and fungistatic agent.
1,2-Dihydroxypentane can reduce irritation and sensitivity and has a wide broad-spectrum antimicrobial effect.

1,2-Dihydroxypentane is an ingredient which is found naturally in some plants (such as sugar beets and corn cobs) but is most frequently lab-derived when used in cosmetics.
1,2-Dihydroxypentane is a humectant, meaning it binds well to water, making 1,2-Dihydroxypentane a good hydrating agent and solvent to aid penetration of other ingredients.
1,2-Dihydroxypentane also helps improve the texture of skin care formulas and has mild preservative properties when used in amounts between 1-5%.

There have been some reports that 1,2-Dihydroxypentane (along with other glycols) is a skin sensitizer; however, as with many ingredients, the amount and how it’s used are key.

1,2-Dihydroxypentane is a chemical compound commonly used in the cosmetics and personal care industry as a skincare and beauty product ingredient.
1,2-Dihydroxypentane is also known by its chemical formula C5H12O2.
1,2-Dihydroxypentane is a type of glycol, which is a class of organic compounds that contain multiple hydroxyl (OH) groups.

1,2-Dihydroxypentane proves multifunctional in skincare and cosmetic formulations, offering a spectrum of benefits.
With its hydrating properties, 1,2-Dihydroxypentane serves as an effective moisturizer, aiding in maintaining skin moisture levels, particularly beneficial for individuals with dry or dehydrated skin.

Acting as a solvent, 1,2-Dihydroxypentane ensures a consistent and uniform texture in products by dissolving other ingredients.
1,2-Dihydroxypentane antimicrobial properties contribute to its role as a preservative, preventing the growth of bacteria and fungi and enhancing 1,2-Dihydroxypentane's longevity.

Recognized for 1,2-Dihydroxypentane mild and non-irritating nature, 1,2-Dihydroxypentane is considered suitable for sensitive skin.
Additionally, 1,2-Dihydroxypentane facilitates the penetration of active ingredients, amplifying the efficacy of skincare formulations.
Overall, 1,2-Dihydroxypentane is a versatile ingredient, addressing various aspects of skincare, from hydration and preservation to compatibility with different skin types.

1,2-Dihydroxypentane is generally recognized as safe for use in cosmetics and skincare products when used in accordance with regulations and guidelines.
However, as with any ingredient, individual reactions or sensitivities may vary, so it's essential to check 1,2-Dihydroxypentane's ingredients list and perform a patch test if you have sensitive skin or allergies.

Uses of 1,2-Dihydroxypentane:
1,2-Dihydroxypentane is used as an emulsion stabilizer, humectant, solvent and a broad-spectrum antimicrobial.
1,2-Dihydroxypentane improves texture of the product.

1,2-Dihydroxypentane has all the characteristics of a solvent.
1,2-Dihydroxypentane is not reactive and can dissolve many other compounds.

1,2-Dihydroxypentane is also known to have antimicrobial properties.

1,2-Dihydroxypentane offers a double advantage:
1,2-Dihydroxypentane protects the skin from harmful bacteria, which could otherwise cause body odor and acne problems on the skin.
Secondly, 1,2-Dihydroxypentane protects the product from any microbial growth, so 1,2-Dihydroxypentane can show the same quality during its use and shelf life.

Skin care:
Due to the two -OH groups, 1,2-Dihydroxypentane has a natural tendency to attract water.
1,2-Dihydroxypentane also retains water, which is especially helpful for dry skin.

1,2-Dihydroxypentane is used as a humectant and skin conditioning agent, for 1,2-Dihydroxypentane ability to retain moisture.
1,2-Dihydroxypentane is used in moisturizer, baby sunscreen, around-eye cream, antiperspirant/deodorant, serums & essences, hand cream, anti-aging, facial moisturizer/treatment, detanning products, bath oil/salts/soak, body oil, body firming lotion, cuticle treatment, body wash/cleanser, tanning oil, recreational sunscreen

Hair care:
1,2-Dihydroxypentane is used in various hair care products such as hair treatment/serum, hair spray, hair styling aide, shampoo, detangler, beard care, shaving cream, beard oil, conditioner, hair color and bleaching, styling gel/lotion, mask, setting powder/spray

Decorative cosmetics:
1,2-Dihydroxypentane is used in cosmetics such as lipstick, concealer, eye shadow, foundation, CC cream, blush, lip balm, facial powder, bronzer/highlighter, lip gloss, BB cream, makeup primer, brow liner, lip liner, eye liner, lip plumper, lip balm, makeup remover

Uses Area of 1,2-Dihydroxypentane:
1,2-Dihydroxypentane is used as a solvent in chemicals produced in the cosmetic industry to soften and smooth the skin.
1,2-Dihydroxypentane has a softening and smoothing effect in this area of use.

1,2-Dihydroxypentane is used together with steroidal hormones in the manufacture of dermatological products.
In these applications, 1,3-butylene glycol and Mono Propylene Glycol are also used as solvents.

This is because 1,3-butylene glycol and Mono Propylene Glycol do not have completely toxic effects.
1,2-Dihydroxypentane is used by combining anti-inflammatory hydrocortisone with pylene glycol to relieve minor skin irritation, temporary itching and inflammation.

1,2-Dihydroxypentane is used in the production of allergy medications.
1,2-Dihydroxypentane has antimicrobial properties because 1,2-Dihydroxypentane is Dihydric Alcohol.

1,2-Dihydroxypentane helps prevent unwanted microorganisms due to 1,2-Dihydroxypentane antimicrobial effect.
1,2-Dihydroxypentane is preferred in the production of quality cosmetic products because 1,2-Dihydroxypentane allergic effects are very low.

1,2-Dihydroxypentane is used in the manufacture of daily skin care products due to 1,2-Dihydroxypentane moisturizing effect on the skin.
By retaining water on the skin, 1,2-Dihydroxypentane makes the skin more vibrant, smooth and plump.

1,2-Dihydroxypentane is used as a solvent in chemicals produced to soften and smooth the skin in the cosmetics industry.
1,2-Dihydroxypentane has a softening and smoothing effect in this area of ​​use.

1,2-Dihydroxypentane is used together with steroidal hormones in the manufacture of dermatological products.
In these applications, 1,2-Dihydroxypentane and Mono Propylene Glycol are also used as solvents.

This is because 1,2-Dihydroxypentane and Mono Propylene Glycol do not have exactly the toxic effects.
1,2-Dihydroxypentane is used to relieve minor skin irritation, temporary itching and inflammation, by combining the anti-inflammatory hydrocortisone with pylenylene glycol.

1,2-Dihydroxypentane is used in the production of allergy medicines.
1,2-Dihydroxypentane has antimicrobial properties due to being dihydric alcohol.
Due to 1,2-Dihydroxypentane antimicrobial effect, 1,2-Dihydroxypentane helps to prevent unwanted microorganisms.

1,2-Dihydroxypentane is preferred in the manufacture of quality cosmetic products because of 1,2-Dihydroxypentane very low allergic effects.
1,2-Dihydroxypentane is used in the manufacture of daily skin care products due to its moisturizing effect on the skin.
By keeping the water on the skin, 1,2-Dihydroxypentane makes the skin more lively, smooth and full.

Applications of 1,2-Dihydroxypentane:
1,2-Dihydroxypentane has a wide range of applications.
Intermediate finds applications in Initial product for chemical syntheses, Inks and coatings, Plasticizers and Solvent, Industrial chemicals.

1,2-Dihydroxypentane is used as a plasticizer in cellulose products and adhesives.
1,2-Dihydroxypentane is used as a brake fluid additive.

1,2-Dihydroxypentane reacts with 3,4-dihydro-2H-pyran to get 5-tetrahydropyran-2-yloxy-pentan-1-ol.
1,2-Dihydroxypentane is also used to prepare polyesters for emulsifying agents and resin intermediates.

1,2-Dihydroxypentane is used in ink, toner and colorant products.
In addition to this, 1,2-Dihydroxypentane is used in brake fluid compositions.

1,2-Dihydroxypentane is used to produce materials made of polyester or polyurethane, for the manufacturing of monomers, for the manufacture of polyester polyols, polycarbonatedioles and acrylic monomers, for the production of delta valerolactone and for molecules that act as reactive diluents, for the production of halogenated substances and for the production of adhesives, putties and sealing compounds, cleaners and auxiliary agents.
1,2-Dihydroxypentane is used in the processes to produce hydrogen, hydrogen peroxide, sodium perborate and peroxyacetic acid and as an intermediate for pharmaceutical products.
1,2-Dihydroxypentane is used as an ingredient for the production of polymeric thickeners, plasticizers for polyvinyl chloride, sizing agents, surfactants, for starches and chemically modified starch for application in the paper, textile and food industry, for personal hygiene products like shampoo, creams, and for paints.

Benefits of 1,2-Dihydroxypentane:
1,2-Dihydroxypentane naturally tends to attract water because 1,2-Dihydroxypentane has two -OH groups.
1,2-Dihydroxypentane also retains water, which is especially beneficial for dry skin.

1,2-Dihydroxypentane is used as a humidifier due to its moisture retention capacity.
1,2-Dihydroxypentane has all the properties of a solvent.

1,2-Dihydroxypentane is non-reactive and can dissolve many other compounds.
As mentioned before, due to 1,2-Dihydroxypentane ability to naturally retain moisture in the skin, 1,2-Dihydroxypentane also nourishes the skin and hair.

1,2-Dihydroxypentane is also known to have antimicrobial properties.
1,2-Dihydroxypentane offers a double advantage – 1,2-Dihydroxypentane protects the skin from harmful bacteria that can otherwise cause body odor and acne problems on the skin.

Secondly, 1,2-Dihydroxypentane protects the product from microbial growth, so that 1,2-Dihydroxypentane can maintain the same quality throughout its use and shelf life.
1,2-Dihydroxypentane is used in the formulations of creams, lotions, moisturizers, cleansers and other skin care products.

1,2-Dihydroxypentane offers several benefits when used in skincare and cosmetic products:

Moisturization:
1,2-Dihydroxypentane helps to hydrate the skin by retaining moisture, making 1,2-Dihydroxypentane beneficial for individuals with dry or dehydrated skin.

Solvent:
1,2-Dihydroxypentane serves as a solvent for various cosmetic ingredients, ensuring that the product has a uniform texture and consistency.

Preservation:
1,2-Dihydroxypentane has antimicrobial properties, which help prevent the growth of harmful microorganisms like bacteria and fungi in cosmetic products, extending their shelf life.

Skin-Friendly:
1,2-Dihydroxypentane is known for being mild and non-irritating, making 1,2-Dihydroxypentane suitable for sensitive skin types and reducing the risk of skin irritation or allergic reactions.

Enhanced Ingredient Penetration:
1,2-Dihydroxypentane can improve the absorption of other active ingredients into the skin, increasing the effectiveness of skincare formulations.

Peoduction of 1,2-Dihydroxypentane:
1,2-Dihydroxypentane is produced synthetically from corn and sugar cane.

Origin of 1,2-Dihydroxypentane:
1,2-Dihydroxypentane is based on by-products from manufacturing processes based on sugarcane residues and corn spindles.
However, 1,2-Dihydroxypentane is manufactured in the lab as the consumption is relatively high.

Effect of 1,2-Dihydroxypentane in the formulation:
antimicrobial
Emulsion stabilization
Moisturizer
Solvent

Physical And Chemical Properties of 1,2-Dihydroxypentane:
1,2-Dihydroxypentane is a physically colorless oil-free liquid.
The density of 1,2-Dihydroxypentane is 0.994 g/mol.

The melting point of 1,2-Dihydroxypentane is -18 °C.
1,2-Dihydroxypentane is a stable chemical.

1,2-Dihydroxypentane should be stored at room temperature.
1,2-Dihydroxypentane is soluble in water.

Safety profile of 1,2-Dihydroxypentane:
1,2-Dihydroxypentane does not have any evidence to suggest hazardous to health, toxicity, or carcinogenicity.
1,2-Dihydroxypentane has been found to cause mild irritation to the eyes and skin in skin types that are already sensitized or prone to irritation.

Health Effect of 1,2-Dihydroxypentane:
1,2-Dihydroxypentane is a semi-synthetic component.
The starting raw materials are of natural origin, but are transformed into a different form than their original state using various processes under laboratory conditions.
These are raw materials obtained without using animal sources (propolis, honey, beeswax, lanolin, collagen, snail extract, milk, etc.).

1,2-Dihydroxypentane is a criterion that should be taken into consideration for those who want to use vegan products.
Studies have concluded that different effects can be seen on each skin type.

For this reason, the allergy/irritation effect may vary from person to person.
However, 1,2-Dihydroxypentane may cause reactions such as stinging, tingling, itching, redness, irritation, skin flaking and swelling, especially in people with sensitive skin types.

Identifiers of 1,2-Dihydroxypentane:
CAS Number: 5343-92-0
Chem/IUPAC Name: 2-heptanoyloxypentyl heptanoate
EINECS/ELINCS No: 226-285-3
COSING REF No: 58983

Molecular Formula (1,2-Dihydroxypentane): C5H12O2
Molecular Weight: 104.15 g/mol
Chemical Name: 1,2-Pentanediol
CAS Number: 5343-92-0

Properties of 1,2-Dihydroxypentane:
form: solution
mol wt: Mr ~1500
packaging: pkg of 10 × 4 mL
manufacturer/tradename: Roche
shipped in: wet ice
storage temp.: 2-8°C
SMILES string: C(CO)O
InChI: 1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI key: LYCAIKOWRPUZTN-UHFFFAOYSA-N

Other Names of 1,2-Dihydroxypentane:

IUPAC Names:
1,5-Pentanediol
1,5-pentanediol
Pentamethylene glycol
pentane,-1,5-diol
Pentane-1,5-diol
pentane-1,5-diol
Pentane-1,5-diol
pentane-1,5-diol
Pentanediol
1,2-PROPYLENE GLYCOL
1,2-DIACETOXYPROPANE 1,2-PROPANEDIOL DIACETATE 1,2-PROPYLENE GLYCOL DIACETATE DOWANOL (TM) PGDA PGDA PROPYLENE DIACETATE PROPYLENE GLYCOL DIACETATE TIMTEC-BB SBB008331 1,2-Propylene diacetate 1,2-propylenediacetate 2-(Acetyloxy)-1-methylethyl acetate alpha-Propylene glycol diacetate alpha-propyleneglycoldiacetate diacetatedepropyleneglycol Methylethylene acetate Methylethylene diacetate methylethyleneacetate methylethylenediacetate propane-1,2-diol diacetate Propane-1,2-dioldiethanoate cas :623-84-7
1,3 BUTANEDIOL
1,3-Butanediol is an organic compound with the formula CH3CH(OH)CH2CH2OH.
With two alcohol functional groups, 1,3 butanediol is classified as a diol.
1,3 butanediol is also chiral, but most studies do not distinguish the enantiomers.


CAS Number: 107-88-0
6290-03-5 (R)
24621-61-2 (S)
EC Number: 203-529-7
MDL number: MFCD00004554
Chemical formula: C4H10O2
Linear Formula: CH3CH(OH)CH2CH2OH


1,3 butanediol is used in flavoring.
1,3 butanediol is a butanediol compound having two hydroxy groups in the 1- and 3-positions.
1,3 butanediol is a butanediol and a glycol.


1,3 butanediol is found in pepper (c. annuum).
1,3 butanediol is a solvent for flavouring agents.
1,3 butanediol is an organic chemical, an alcohol.


1,3 butanediol is commonly used as a solvent for food flavouring agents and is a co-monomer used in certain polyurethane and polyester resins.
1,3 butanediol is one of four stable isomers of butanediol.
1,3 butanediol belongs to the family of Secondary Alcohols.


These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
1,3 butanediol is miscible with water.
1,3 butanediol is a chiral compound that belongs to the group of organic compounds called diols.


1,3 butanediol, an ethanol dimer providing a source of calories for human nutrition.
1,3 butanediol is converted in the body to β-hydroxybutyrate and has cerebral protective and hypoglycaemic effect.
1,3 butanediol is a building block for proteomics research.


1,3-Butanediol is an organic compound with the formula CH3CH(OH)CH2CH2OH.
With two alcohol functional groups, 1,3 butanediol is classified as a diol.
1,3 butanediol is also chiral, but most studies do not distinguish the enantiomers.


1,3 butanediol is a colorless, bittersweet, water-soluble liquid.
1,3 butanediol is one of four common structural isomers of butanediol.
1,3 butanediol is found in pepper (c. annuum).


1,3 butanediol is a solvent for flavouring agents it is an organic chemical, an alcohol.
1,3 butanediol is commonly used as a solvent for food flavouring agents and is a co-monomer used in certain polyurethane and polyester resins.
1,3 butanediol is one of four stable isomers of butanediol.


In biology, 1,3 butanediol is used as a hypoglycaemic agent.
1,3 butanediol belongs to the family of Secondary Alcohols.
These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).


1,3 butanediol is an organic compound with the formula CH3CH(OH)CH2CH2OH.
With two alcohol functional groups, 1,3 butanediol is classified as a diol.
1,3 butanediol is also chiral, but most studies do not distinguish the enantiomers.


1,3 butanediol is a colorless, bittersweet, water-soluble liquid.
1,3 butanediol is one of four common structural isomers of butanediol.
1,3 butanediol is an organic alcohol with antimicrobial activity against a wide variety of pathogens.


1,3 butanediol is an organic chemical which belongs to the family of secondary alcohols.
1,3 butanediol, also known as b-butylene glycol or BD, belongs to the class of organic compounds known as secondary alcohols.
Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).


1,3 butanediol is a bitter and odorless tasting compound.
1,3 butanediol has been detected, but not quantified, in several different foods, such as green bell peppers, orange bell peppers, pepper (c. annuum), red bell peppers, and yellow bell peppers.


This could make 1,3 butanediol a potential biomarker for the consumption of these foods.
A butanediol compound having two hydroxy groups in the 1- and 3-positions.
1,3 butanediol belongs to the class of organic compounds known as secondary alcohols.


Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
1,3 butanediol, an ethanol dimer providing a source of calories for human nutrition.
1,3 butanediol is converted in the body to β-hydroxybutyrate and has cerebral protective and hypoglycaemic effect.
1,3 butanediol is a colorless, odorless liquid, water miscible.



USES and APPLICATIONS of 1,3 BUTANEDIOL:
1,3 butanediol is used in the fermentation of Candida parapsilosis and other yeast species to produce enantiomerically pure (S)-(-)-1,3-butanediol.
The racemate can be converted into the two enantiomers by chemical means or by enzymatic resolution.
The process for large-scale production is similar to that for ethanol fermentation, but with 2-propanol as substrate instead of glucose.


The fermentor has been shown to be effective at producing large quantities of 1,3 butanediol in a short time period.
1,3 butanediol acts as a co-monomer in the production of polyurethane and polyester resins.
1,3 butanediol is used as a humectant (to prevent loss of moisture) in cosmetics, especially in hair sprays and setting lotions.


1,3 butanediol is used in surfactants, inks, solvents for natural and synthetic flavorings.
1,3 butanediol is involved in the synthesis of dual peroxisome proliferator-activated gamma and delta agonists acting as euglycemic agents, which is used in the treatment of diabetes.


In biology, 1,3 butanediol is used as a hypoglycaemic agent.
1,3 butanediol is used Solvent, monomer used in polyurethane and polyester resins, analytical reagent, and substrate for organic syntheses.
1,3 butanediol is used to regulate the metabolism of carbohydrate and lipid.


1,3 butanediol acts as a co-monomer in the production of polyurethane and polyester resins.
1,3 butanediol is used as a humectant (to prevent loss of moisture) in cosmetics, especially in hair sprays and setting lotions.
1,3 butanediol is used in surfactants, inks, solvents for natural and synthetic flavorings.


1,3 butanediol is involved in the synthesis of dual peroxisome proliferator-activated gamma and delta agonists acting as euglycemic agents, which is used in the treatment of diabetes.
1,3 butanediol is used in flavoring.


1,3 butanediol is used as a hypoglycaemic agent.
1,3 butanediol may be used as a reference standard in the determination of (±)-1,3-butanediol in biological samples using wide-bore column gas chromatography coupled to flame ionization detector.


1,3 butanediol has been detected in green bell peppers, orange bell peppers, pepper (Capsicum annuum), red bell peppers, and yellow bell peppers.
1,3 butanediol, also referred to as 1,3-Butylene glycol, maintains FDA GRAS status as a flavor molecule.
1,3 butanediol can also serve as a humectant to prevent loss of moisture in cosmetics, particularly in hair sprays and setting lotions.


Besides, 1,3 butanediol is pharmaceutically involved in the production of colchicine derivatives as a anticancer agent and in the synthesis of dual peroxisome proliferator-activated gamma and delta agonists acting as a hypoglycaemic agent.
At present, 1,3 butanediol is used mainly in surfactants, inks, solvents for natural and synthetic flavoring agents and serves as a co-monomer in manufacturing certain polyurethane and polyester resins.



PRODUCTION AND USES OF 1,3 BUTANEDIOL
Hydrogenation of 3-hydroxybutanal gives 1,3 butanedioll:
CH3CH(OH)CH2CHO + H2 → CH3CH(OH)CH2CH2OH
Dehydration of 1,3 butanediol gives 1,3-butadiene:
CH3CH(OH)CH2CH2OH → CH2=CH-CH=CH2 + 2 H2O



WHAT ARE THE USES AND BENEFITS OF 1,3 BUTANEDIOL?
1,3 butanediol is a colorless, viscous liquid with a slightly sweet and bitter taste.
1,3 butanediol has strong hygroscopic properties and can dissolve in water, ethanol, acetone, methyl ethyl ketone, castor oil,..



HOW IS 1,3 BUTANEDIOL PREPARED AND APPLIED?
Background and overview 1,3 butanediol is mainly used as a moisturizer in cosmetics and has good antibacterial effects.
1,3 butanediol can be used in the production of various lotions, ointments and toothpaste..



COMPOUND TYPE 1,3 BUTANEDIOL:
*Flavouring Agent
*Food Toxin
*Household Toxin
*Industrial/Workplace Toxin
*Metabolite
*Natural Compound
*Organic Compound
*Plant Toxin
*Solvent



ALTERNATIVE PARENTS OF 1,3 BUTANEDIOL:
*Primary alcohols
*Hydrocarbon derivatives



SUBSTITUENTS OF 1,3 BUTANEDIOL:
*Secondary alcohol
*Hydrocarbon derivative
*Primary alcohol
*Aliphatic acyclic compound



RELATED COMPOUNDS OF 1,3 BUTANEDIOL:
-Related butanediol
*1,2-Butanediol
*1,4-Butanediol
*2,3-Butanediol
-Related compounds
*2-Methylpentane



OCCURRENCE OF 1,3 BUTANEDIOL:
1,3 butanediol is used as a hypoglycaemic agent.
1,3 butanediol has been detected in green bell peppers, orange bell peppers, pepper (Capsicum annuum), red bell peppers, and yellow bell peppers.
1,3 Butanediol, also referred to as 1,3-Butylene glycol, maintains FDA GRAS status as a flavor molecule.



WHAT IS THE MECHANISM AND HOW TO DRAW 1,3 BUTANEDIOL'S ENERGY PROFILE?
Step 1:
Loss of Br- from C3 (Carbocation intermediate has max energy)
Step 2: Add H2O to form protonated alcohol (Lower energy than start)
Step 3: Loss of proton to get alcohol (Endothermic)



WHAT ARE THE PROPERTIES, PREPARATION METHODS, AND USES OF 1,3 BUTANEDIOL?
1,3 butanediol is a colorless liquid with a boiling point of 207°C, a density of 1, and a flash point of 121°C.
1,3 butanediol is soluble in water and alcohol.
1,3 butanediol has low irritability and can be used as a moistur..



PHYSICAL and CHEMICAL PROPERTIES of 1,3 BUTANEDIOL:
Chemical formula: C4H10O2
Molar mass: 90.122 g·mol−1
Appearance: Colourless liquid
Density: 1.0053 g cm−3
Melting point: −50 °C (−58 °F; 223 K)
Boiling point: 204 to 210 °C; 399 to 410 °F; 477 to 483 K
Solubility in water: 1 kg dm−3
log P: −0.74
Vapor pressure: 8 Pa (at 20 °C)
Refractive index (nD): 1.44
Std molar entropy (S⦵298): 227.2 J K−1 mol−1
Std enthalpy of formation (ΔfH⦵298): −501 kJ mol−1
Std enthalpy of combustion (ΔcH⦵298): −2.5022 MJ mol−1
Molecular Weight: 90.12 g/mol
XLogP3-AA: -0.4
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 2
Exact Mass: 90.068079557 g/mol
Monoisotopic Mass: 90.068079557 g/mol
Topological Polar Surface Area: 40.5Ų
Heavy Atom Count: 6
Formal Charge: 0

Complexity: 28.7
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
CAS number: 107-88-0
EC number: 203-529-7
Hill Formula: C₄H₁₀O₂
Chemical formula: CH₃CH(OH)CH₂CH₂OH
Molar Mass: 90.12 g/mol
HS Code: 2905 39 20
Density: 1.00 g/cm3 (20 °C)
Explosion limit: 1.9 - 12.6 %(V)
Flash point: 108 °C
Ignition temperature: 410 °C DIN 51794
pH value: 6.0 - 7.0 (H₂O, 20 °C)
Vapor pressure: 0.08 hPa (20 °C)
Solubility: >500 g/l miscible
Physical state: liquid
Color: colorless, clear

Odor: odorless
Melting point/freezing point:
Melting point/freezing point: -57 °C - ISO 3016
Initial boiling point and boiling range: 203 - 204 °C - lit.
Flammability (solid, gas): No data available
Upper/lower flammability or explosive limits:
Upper explosion limit: 12,6 %(V)
Lower explosion limit: 1,9 %(V)
Flash point 108 °C - closed cup
Autoignition temperature: 410 °C at 1.019 hPa - DIN 51794
Decomposition temperature: No data available
pH: 6,0 - 7,0 at 20 °C
Viscosity
Viscosity, kinematic: No data available
Viscosity, dynamic: 131,83 mPa.s at 20 °C - ASTM D 445
Water solubility 500 g/l at 20 °C - miscible
Partition coefficient: n-octanol/water:
log Pow: -0,9 at 25 °C - Bioaccumulation is not expected.
Vapor pressure: 0,08 hPa at 20 °C
Density: 1,005 g/cm3 at 25 °C - lit.
Relative density: No data available
Relative vapor density: No data available
Particle characteristics: No data available

Explosive properties: No data available
Oxidizing properties: No data available
Other safety information:
Surface tension: 72,6 mN/m at 1g/l at 20 °C
Dissociation constant: 15,5 at 25 °C
Relative vapor density: 3,11 - (Air = 1.0)
Melting Point: -50°C
Density: 1.005
Boiling Point: 203°C to 204°C
Flash Point: 109°C (249°F)
Odor: Mild
Refractive Index: 1.44
Beilstein: 1731276
Sensitivity: Hygroscopic
Merck Index: 14,1567
Solubility Information: Miscible with water.
Formula Weight: 90.12
Percent Purity: 99%
Chemical Name or Material: (±)-1,3-Butanediol
Molecular Formula / Molecular Weight: C4H10O2 = 90.12
Physical State (20 deg.C): Liquid
Store Under Inert Gas: Store under inert gas
Condition to Avoid: Hygroscopic

CAS RN: 107-88-0
Reaxys Registry Number: 1718945
PubChem Substance ID: 87563682
SDBS (AIST Spectral DB): 509
Merck Index (14): 1567
MDL Number: MFCD00004554
Molecular Weight: 90.12
Appearance: Liquid
Formula: C4H10O2
CAS No.: 107-88-0
SMILES: CC(O)CCO
Shipping: Room temperature in continental US; may vary elsewhere.
Storage:
Pure form: -20°C 3 years, 4°C 2 years
In solvent: -80°C 6 months, -20°C 1 month
Molecular Weight: 90.12g/mol
Molecular Formula: C4H10O2
Compound Is Canonicalized: True
XLogP3-AA: -0.4
Exact Mass: 90.068079557
Monoisotopic Mass: 90.068079557
Complexity: 28.7
Rotatable Bond Count: 2

Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 40.5
Heavy Atom Count: 6
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
Chemical Formula: C4H10O2
Average Molecular Weight: 90.121
Monoisotopic Molecular Weight: 90.068079564
IUPAC Name: butane-1,3-diol
Traditional Name: 1,3-butanediol
CAS Registry Number: 107-88-0
SMILES: CC(O)CCO
InChI Identifier: InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
InChI Key: PUPZLCDOIYMWBV-UHFFFAOYSA-N
Physical State : Liquid
Solubility : Soluble in water, alcohol and ketones. Insoluble in hydrocarbons.
Storage : Store at room temperature
Melting Point : -57° C
Boiling Point :203-204° C (lit.)
Density : 1.55 g/mL at 25° C (lit.)
Refractive Index : n20D 1.44 (lit.)



FIRST AID MEASURES of 1,3 BUTANEDIOL:
-Description of first-aid measures:
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation:
Fresh air.
*In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with water/ shower.
*In case of eye contact:
After eye contact:
Rinse out with plenty of water.
Call in ophthalmologist.
Remove contact lenses.
*If swallowed:
After swallowing:
Immediately make victim drink water (two glasses at most).
Consult a physician.
-Indication of any immediate medical attention and special treatment needed:
No data available



ACCIDENTAL RELEASE MEASURES of 1,3 BUTANEDIOL:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up with liquid-absorbent material.
Dispose of properly.
Clean up affected area.



FIRE FIGHTING MEASURES of 1,3 BUTANEDIOL:
-Extinguishing media:
*Suitable extinguishing media:
Water
Foam
Carbon dioxide (CO2)
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.



EXPOSURE CONTROLS/PERSONAL PROTECTION of 1,3 BUTANEDIOL:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
Safety glasses
*Skin protection:
Handle with gloves.
Wash and dry hands.
Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Splash contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
*Body Protection:
protective clothing
*Respiratory protection:
Recommended Filter type: Filter type ABEK
-Control of environmental exposure:
Do not let product enter drains.



HANDLING and STORAGE of 1,3 BUTANEDIOL:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
hygroscopic



STABILITY and REACTIVITY of 1,3 BUTANEDIOL:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature) .
-Incompatible materials:
No data available



SYNONYMS:
Butane-1,3-diol
1,3-butylene glycol
butane-1,3-diol
1,3-dihydroxybutane
1,3-BUTANEDIOL
Butane-1,3-diol
107-88-0
1,3-Butylene glycol
Butylene glycol
1,3-Dihydroxybutane
Methyltrimethylene glycol
1,3 Butylene glycol
1,3-Butandiol
beta-Butylene glycol
(RS)-1,3-Butandiol
(+/-)-1,3-Butanediol
1-Methyl-1,3-propanediol
1,3-Butylenglykol
Caswell No. 128GG
1,3-Butanodiol
HSDB 153
.beta.-Butylene glycol
NSC 402145
NSC-402145
(R)-1,3-butanediol
UNII-3XUS85K0RA
BD
EINECS 203-529-7
3XUS85K0RA
BRN 1731276
DTXSID8026773
CHEBI:52683
AI3-11077
BUTANEDIOL,1,3-
DTXCID306773
NSC6966
EC 203-529-7
0-01-00-00477 (Beilstein Handbook Reference)
NSC402145
BUTYLENE GLYCOL (II)
BUTYLENE GLYCOL [II]
BUTANE-1,3-DIOL (USP-RS)
BUTANE-1,3-DIOL [USP-RS]
1,3-butane diol
CAS-107-88-0
1,3-Butanediol, (R)-
1,3-Butanediol, (S)-
MFCD00064277
MFCD00064278
b-Butylene glycol
Herbal Moxibustion
1.3-butanediol
1,3 -butanediol
MFCD00004554
DL-1,3-butanediol
Chinese medicine patch
Butylene glycol (NF)
(S)-(+)-butanediol
racemic 1,3-butanediol
BUTANEDIOL,3-
1,3-butanediol, DL-
(RS)-1,3-Butanediol
Natural Oriental Herb Care
(+/-) 1,3 butandiol
(+/-)-1,3-butandiol
BUTYLENE GLYCOL [INCI]
(.+/-.)-1,3-Butanediol
CHEMBL3186475
WLN: QY1 & 2Q
1,3-BUTANEDIOL [HSDB]
acmeros Lubricant X0026F3541
1,3-BUTANDIOL [WHO-DD]
ShiZhenTaiYiTang Moxibustion Patch
LingLongJiuHuo Linglong Moxibustion
QIZHOUGUAI Chinese medicine patch
1,3-Butanediol, (.+/-.)-
1,3-BUTYLENE GLYCOL [MI]
NSC-6966
1,3-BUTYLENE GLYCOL [FCC]
Tox21_202408
Tox21_300085
1,3 BUTYLENE GLYCOL [FHFI]
BBL037424
Butylene Glycol (Butane-1,3-diol)
HY-77490A
STL483070
AKOS000119043
DB14110
SB44648
SB44659
SB83779
1,3 BUTYLENE GLYCOL, (+/-)
NCGC00247900-01
NCGC00247900-02
NCGC00253944-01
NCGC00259957-01
SY049450
SY051259
1,3 BUTYLENE GLYCOL, (+/-)-
3CE SUPER SLIM PEN EYE LINER BLACK
3CE SUPER SLIM PEN EYE LINER BROWN
(+/-)-1,3-Butanediol, analytical standard
B0679
B3770
CS-0115644
FT-0605126
FT-0605294
FT-0606593
EN300-19320
(+/-)-1,3-Butanediol, anhydrous, >=99%
1,3-Butanediol 100 microg/mL in Acetonitrile
C20335
D10695
F82621
3CE SUPER SLIM PEN EYE LINER LIGHT BROWN
Q161496
(+/-)-1,3-Butanediol, ReagentPlus(R), 99.5%
3CE SUPER SLIM PEN EYE LINER BURGUNDY BROWN
J-002028
(+/-)-1,3-Butanediol, ReagentPlus(R), >=99.0%
(+/-)-1,3-Butanediol, SAJ first grade, >=98.0%
(+/-)-1,3-Butanediol, Vetec(TM) reagent grade, 98%
F8880-3340
LingLongJiuHuo Linglong Moxibustion Wormwood Moxibustion Patch
Butane-1,3-diol, United States Pharmacopeia (USP) Reference Standard
55251-78-0
β-Butylene glycol
Methyltrimethylene glycol
1-Methyl-1,3-propanediol
1,3-Butylene glycol
1,3-Dihydroxybutane
Butane-1,3-diol
BD
1,3-Butandiol
1,3-Butylenglykol
1,3-Butanodiol
Butanediol,1,3-
(RS)-1,3-Butanediol
Butylene glycol
NSC 402145
1,3-Butanediol
(RS)-1,3-Butanediol
1,3-Butylene glycol
1,3-Dihydroxybutane
1-Methyl-1,3-propanediol
13BGK
3-Hydroxy-1-butanol
Butylene glycol
DL-1,3-Butanediol
Jeechem Bugl
Methyltrimethylene glycol
NSC 402145
Niax DP 1022, (+/-)-Butane-1,3-diol
beta-Butylene glycol
(RS)-1,3-Butandiol
1,3 Butylene glycol
1,3-Butandiol
1,3-Butylene glycol
1,3-Butylenglykol
1,3-Dihydroxybutane
1-Methyl-1,3-propanediol
beta-Butylene glycol
Methyltrimethylene glycol
b-Butylene glycol
Β-butylene glycol
1,3-Butylene glycol, (14)C-labeled
1,3-Butylene glycol, (DL)-isomer
1,3-Butylene glycol, (R)-isomer
1,3-Butylene glycol, (S)-isomer
Butylene glycol HMDB
(+/-)-1,3-butanediol
(.+/-.)-1,3-butanediol
(R)-(-)-Butane-1,3-diol
(R)-1,3-Butanediol
(S)-(+)-1,3-Butanediol
(S)-(+)-Butane-1,3-diol
(S)-1,3-Butanediol
1,3-Butanodiol
BD
Butane-1,3-diol
DL-1,3-Butanediol
1,3-Butanediol



1,3,5-TRIAZINE-2,4,6-TRIAMINE MONOPHOSPHATE (MELAMINE PHOSPHATE)
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is also used as a fertilizer and a stabilizer in the production of resins and polymers.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is considered to be relatively safe for use in consumer products, as it has low toxicity and is not known to accumulate in the environment.
However, like all chemicals, 1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) should be handled and used in accordance with appropriate safety precautions.

CAS Number: 20208-95-1
EC Number: 243-601-5
Molecular Formula: C3H9N6O4P
Molecular Weight: 224.12



APPLICATIONS


1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is primarily used as a flame retardant in various materials, including plastics, textiles, and coatings.
When added to these materials, 1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) releases nitrogen gas when exposed to heat or flame, which dilutes the combustible gases and reduces the risk of ignition and flame spread.


Here are some specific applications of 1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate):


Plastics:

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is commonly used as a flame retardant in plastics, including polyamides, polyesters, and thermoplastic elastomers.
These plastics are often used in the automotive, construction, and electronics industries.


Textiles:

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used as a flame retardant in textiles, including carpets, curtains, and upholstery.
This helps to reduce the risk of fires caused by accidental ignition or exposure to heat sources.


Coatings:

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is added to paints, varnishes, and other coatings to improve their fire resistance.
This is especially important in buildings and other structures where fire safety is a major concern.


Fertilizers:

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) has a high nitrogen content and can be used as a slow-release fertilizer for plants.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) provides a source of nitrogen for plants over an extended period, which can improve plant growth and yield.


Stabilizers:

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used as a stabilizer in the production of resins and polymers.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) helps to improve the heat resistance and mechanical properties of these materials.


Overall, 1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is a versatile compound with a wide range of applications in various industries.
Its ability to reduce the flammability of materials while being cost-effective and relatively safe makes 1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) an important component in many products.


1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for electrical equipment, such as transformers and generators.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of polyurethane foams, such as those used in furniture cushions and mattresses.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for pipes and tubing used in industrial applications.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of automotive parts, such as engine covers and air intake systems.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for construction materials, such as concrete and masonry.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of electrical wiring and connectors.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for aerospace components, such as fuel tanks and fuselage panels.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of synthetic turf used in sports fields and playgrounds.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for military vehicles and equipment.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of medical devices, such as surgical instruments and equipment.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for laboratory equipment and supplies.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of personal protective equipment, such as helmets and body armor.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for fuel cells used in energy storage and transportation.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of filtration media used in air and water purification systems.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for building materials used in historic preservation and restoration.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of composites used in the marine industry, such as boat hulls and decks.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for agricultural equipment, such as tractors and combines.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of roofing membranes used in green roofs and living walls.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for mining vehicles and equipment.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of automotive textiles, such as seat covers and carpets.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for fuel storage tanks and pipelines.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of foam insulation used in refrigeration and air conditioning systems.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for elevator and escalator components.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of personal care products, such as hair sprays and cosmetics.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for outdoor furniture and recreational equipment.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant adhesives for various applications.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of rubber products, such as tires and conveyor belts.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant fabrics and textiles for industrial and consumer applications.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of paper products, such as magazines and books.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant insulation for boilers and steam pipes.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of synthetic roofing materials.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for steel structures, such as bridges and high-rise buildings.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of thermoplastics, such as PVC and PTFE.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant materials for the automotive industry, such as dashboards and seats.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of cable and wire coatings.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for marine applications, such as boats and oil rigs.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of acoustic materials, such as soundproofing foams.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for railway components, such as tracks and trains.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of thermoset plastics, such as epoxy and phenolic resins.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for electronic components, such as circuit boards and batteries.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of insulation for aircraft components, such as engines and wings.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for textiles used in the military and emergency services.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of synthetic building materials, such as siding and gutters.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for mining equipment, such as conveyor belts and drills.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of flooring materials, such as vinyl and laminate.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for furniture and other household items.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of insulation for HVAC systems.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for commercial kitchen equipment, such as grills and ovens.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of plastic films used in packaging and labeling.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for power plant components, such as turbines and boilers.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant paints for ships and offshore structures.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of synthetic fibers, such as polyester and nylon.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of insulation for high-temperature applications, such as furnace linings.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of polyurethane foam insulation for refrigeration systems.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant curtains and drapes for homes and commercial buildings.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of molded plastic products, such as toys and sporting goods.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for concrete and masonry surfaces.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of foam padding for furniture and mattresses.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant wallboard and ceiling tiles for commercial buildings.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of electrical insulation for high-voltage equipment.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant carpeting for homes and commercial buildings.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of polyethylene foam insulation for piping systems.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant gaskets for industrial equipment.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of packaging materials, such as cardboard boxes and shipping crates.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for aerospace components.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of thermoplastic elastomers, such as TPE-E and TPE-O.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant glass for architectural applications.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is commonly used as a flame retardant in plastics, such as polyamides, polyesters, and thermoplastic elastomers.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in various textiles, including curtains, carpets, and upholstery.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is often added to paints and coatings to improve their fire resistance and prevent the spread of flames.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a slow-release fertilizer, providing a source of nitrogen for plants over an extended period.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is often used in combination with other flame retardants to improve their effectiveness.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is an effective stabilizer in the production of resins and polymers, helping to improve their heat resistance and mechanical properties.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in electronic components, such as circuit boards.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is often used in the construction industry, particularly in building materials such as insulation and wallboards.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of adhesives and sealants, helping to improve their resistance to fire and heat.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is also used in the manufacturing of composite materials, such as fiberglass and carbon fiber.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in foam materials, such as polyurethane foam.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of automotive components, such as dashboards and interior trim.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of wires and cables, helping to prevent the spread of fire.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-retardant coatings for wood and other porous materials.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in paper products, such as packaging materials and wallpaper.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant insulation materials, such as mineral wool.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in building materials such as roofing membranes and floor coverings.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of molded products, such as electrical enclosures and switchgear.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in thermosetting plastics, such as phenolic resins.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of printing inks, helping to improve their fire resistance.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used in the production of fire-retardant foam insulation for HVAC systems.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of decorative laminates, such as countertops and furniture surfaces.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in rubber products, such as hoses and gaskets.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for structural steel.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in various other products, including mattresses, toys, and consumer electronics.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of electrical wire insulation and jacketing.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for military vehicles and equipment.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of foam insulation for building ductwork.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for conveyor belts in industrial applications.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of plastics used in medical devices.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for oil and gas pipelines.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) can be used as a flame retardant in the production of synthetic leather materials.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in the production of fire-resistant coatings for electrical transformers and other equipment.



DESCRIPTION


1,3,5-triazine-2,4,6-triamine monophosphate, also known as melamine phosphate, is a white crystalline compound that is derived from melamine and phosphoric acid.
Melamine phosphate is commonly used as a flame retardant in a variety of materials, including plastics, textiles, and coatings.
When exposed to heat or flame, 1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) releases nitrogen, which dilutes the combustible gases and prevents the spread of fire.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is also used as a fertilizer and a stabilizer in the production of resins and polymers.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is considered to be relatively safe for use in consumer products, as it has low toxicity and is not known to accumulate in the environment.
However, like all chemicals, 1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) should be handled and used in accordance with appropriate safety precautions.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is a white crystalline powder that is highly soluble in water.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is often used in the production of plastics, textiles, and coatings.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) releases nitrogen when exposed to heat or flame, which helps to prevent the spread of fire.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) has a high nitrogen content, making it an effective fertilizer.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is stable under normal conditions and is not known to react with other chemicals.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) has a low toxicity and is not considered to be harmful to humans or the environment.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is often used in combination with other flame retardants to enhance its effectiveness.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is an effective stabilizer in the production of resins and polymers.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) has a molecular weight of 218.09 g/mol.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) has a melting point of approximately 345 °C.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) has a pH value of around 5-6 in aqueous solution.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is highly reactive with strong acids and bases.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is classified as a Class B flame retardant according to the UL 94 standard.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) has good thermal stability, making it suitable for use in high-temperature applications.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is often used as a replacement for halogenated flame retardants, which are known to be harmful to the environment.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is highly effective at reducing the flammability of materials while also being cost-effective.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is used in a wide range of industries, including electronics, construction, and transportation.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) has a high phosphorus content, which makes it an effective flame retardant.

1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is stable at room temperature and does not decompose easily.
1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate) is easy to handle and transport due to its low toxicity and stability.



PROPERTIES


Chemical formula: C3H9N6O4P
Molar mass: 224.1 g/mol
Appearance: White crystalline powder
Odor: Odorless
Melting point: 345-360 °C (653-680 °F; 618-633 K)
Solubility: Insoluble in water, alcohol, and ether. Soluble in concentrated acids.
Density: 2.38 g/cm³
pH: 4-6 (1% solution)
Stability: Stable under normal conditions. Decomposes at high temperatures, releasing toxic fumes of nitrogen oxides and phosphorus oxides.
Flash point: Not applicable
Autoignition temperature: Not applicable
Explosive limits: Not applicable
Vapor pressure: Negligible
Viscosity: Not applicable
Refractive index: Not applicable
Boiling point: Decomposes at high temperatures
Heat of combustion: Not applicable
Heat of fusion: Not applicable
Heat of vaporization: Not applicable
Critical temperature: Not applicable
Critical pressure: Not applicable
Specific heat capacity: Not applicable
Thermal conductivity: Not applicable
Electrical conductivity: Not applicable
Magnetic properties: Not applicable
Radioactivity: Not applicable



FIRST AID


In case of exposure to 1,3,5-triazine-2,4,6-triamine monophosphate (melamine phosphate), the following first aid measures can be taken:

Skin contact:

Remove contaminated clothing and wash affected areas with plenty of soap and water for at least 15 minutes.
Seek medical attention if irritation, redness, or other symptoms persist.


Eye contact:

Rinse eyes with plenty of water, holding the eyelids open, for at least 15 minutes.
Seek medical attention immediately.


Inhalation:

Move to fresh air immediately.
If breathing is difficult, administer oxygen.
Seek medical attention if symptoms like coughing, shortness of breath, or chest pain persist.


Ingestion:

Rinse mouth thoroughly with water and drink plenty of water.
Do not induce vomiting unless instructed by medical personnel.
Seek medical attention immediately.


Note:

In case of any exposure or symptoms, always seek medical attention and provide the medical personnel with the Safety Data Sheet (SDS) or the product label.



HANDLING AND STORAGE


Handling:

Wear suitable personal protective equipment (PPE), such as gloves, goggles, and a protective clothing, when handling or working with the chemical.
Use in a well-ventilated area to avoid inhalation of dust or fumes.
Avoid contact with eyes, skin, or clothing.

In case of contact, follow the first aid measures and clean contaminated areas with water and soap.
Do not eat, drink, or smoke while handling the chemical.
Handle the chemical with care to prevent spills or leaks.


Storage:

Store in a cool, dry, and well-ventilated area, away from heat, sources of ignition, and incompatible substances.
Keep containers tightly closed and properly labeled to avoid accidental exposure.
Store away from food, feed, or drinking water.

Store the chemical separately from oxidizers, acids, and alkalis to avoid potential reactions or hazards.
Follow local regulations and guidelines for the safe storage and disposal of the chemical.



SYNONYMS


1,3,5-triazine-2,4,6-triamine phosphate
Melamine orthophosphate
2,4,6-Triamin-1,3,5-triazinphosphat (German)
Fyrol MP
Melaphos
Melaphos MP
Melaphos ST
Melapur 200
Melapur 400
Melapur FRA
Melapur MP
Melapur ST
Melaphos MKP
N-melamine phosphate
Phosphoric acid, compound with 2,4,6-triamino-1,3,5-triazine (1:1)
Phosmel
Cyanurotriamide phosphate
Cyanuramide phosphate
Cyanuric acid, compound with melamine (1:1), phosphate (1:1)
Melamine polyphosphate
Phosphomelamine
Triaminotrinitrophenylphosphorus
Tris(melamine) phosphate
2,4,6-Triamino-1,3,5-triazine phosphate
Fyrolflex MP
Melapur CPA
Melapur FR
Melapur STP
Melaphos FR
Melaphos STP
Melapur 300
Melapur 700
Melaphos FR MKP
Melaphos STP MKP
Melaflame 10
Melaflame 30
Melaflame 40
Triamino-1,3,5-triazine phosphate
Melapur STP DAB
Melapur 2000
Melamine phosphate
20208-95-1
1,3,5-Triazine-2,4,6-triamine, phosphate
41583-09-9
1,3,5-triazine-2,4,6-triamine phosphate
Triazinetriaminephosphate
melamine monophosphate
INTUMESCENTCOMPOUNDKE8000
phosphoric acid;1,3,5-triazine-2,4,6-triamine
DOS5Q2BU94
1,3,5-Triazine-2,4,6-triamine, phosphate (1:1)
1,3,5-Triazine-2,4,6-triamine monophosphate
1,3,5-Triazine-2,4,6-triamine, phosphate (1:?)
218768-84-4
Melapur M 200
EINECS 255-449-7
hate
Melamine Polyphosp
EINECS 243-601-5
EINECS 260-493-5
UNII-DOS5Q2BU94
EC 255-449-7
SCHEMBL73239
DTXSID80872787
MELAMINE, PHOSPHATE (1:1)
MFCD00060248
AKOS028108538
AS-15268
CS-0449429
FT-0628188
FT-0742330
F71215
Di(1,3,5-triazine-2,4,6-triamine) phosphate
1,3,5-Triazine-2,4,6-triamine, phosphate (2:1)
1,3-Butanediol
Hydroxyethyl cellulose; MH 4000 KG4; Cellulose, 2 - hydroxyethyl ether; hydroxyethyl cellulose ;Methyl 2-hydroxyethyl cellulose cas no: 9004-62-0
1,3-BUTANEDIOL
1,3-Butanediol belongs to the class of organic compounds known as secondary alcohols.
1,3-Butanediol, an ethanol dimer providing a source of calories for human nutrition.
1,3-Butanediol has a sweet flavor with bitter aftertaste and is odorless when pure.


CAS Number: 107-88-0
6290-03-5 (R)
24621-61-2 (S)
EC Number: 203-529-7
MDL number: MFCD00004554
Linear Formula: CH3CH(OH)CH2CH2OH
Chemical formula: C4H10O2


1,3-Butanediol, also known as b-butylene glycol or BD, belongs to the class of organic compounds known as secondary alcohols.
Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
1,3-Butanediol is a bitter and odorless tasting compound.


1,3-Butanediol has been detected, but not quantified, in several different foods, such as green bell peppers, orange bell peppers, pepper (c. annuum), red bell peppers, and yellow bell peppers.
This could make 1,3-butanediol a potential biomarker for the consumption of these foods.


1,3-Butanediol is a colorless, slightly bitter-sweet viscous liquid.
1,3-Butanediol is soluble in water, acetone, methyl-ethyl (methyl) ketone, ethanol, dibutyl phthalate, castor oil, almost insoluble in aliphatic hydrocarbons, benzene, toluene, carbon tetrachloride, ethanol Amine, mineral oil, linseed oil.


Heat can dissolve nylon, and also partially dissolve shellac and rosin.
Due to the high boiling point, atmospheric pressure distillation is susceptible to air oxidation,
1,3-Butanediol is desirable to distillation under reduced pressure.


1,3-Butanediol has a sweet flavor with bitter aftertaste and is odorless when pure.
1,3-Butanediol is colourless liquid.
1,3-Butanediol occurs as a clear, colorless, viscous liquid with a sweet flavor and bitter aftertaste.


A butanediol compound having two hydroxy groups in the 1- and 3-positions.
1,3-Butanediol is an organic chemical which belongs to the family of secondary alcohols.
1,3-Butanediol is a colorless, odorless liquid, water miscible.


1,3-Butanediol, an ethanol dimer providing a source of calories for human nutrition.
1,3-Butanediol is converted in the body to β-hydroxybutyrate and has cerebral protective and hypoglycaemic effect.
1,3-Butanediol is found in pepper (c. annuum).


1,3-Butanediol is a solvent for flavouring agent.
1,3-Butanediol is an organic chemical, an alcohol.
1,3-Butanediol belongs to the class of organic compounds known as secondary alcohols.


Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
1,3-Butanediol is soluble in water, acetone, methyl ethyl (methyl) ketone, ethanol, dibutyl phthalate, castor oil, almost insoluble in aliphatic hydrocarbons, benzene, toluene, carbon tetrachloride, etholamine, mineral oil, linseed oil.


1,3-Butanediol can dissolve nylon when hot, and can also partially dissolve shellac and turpentine.
Due to the high boiling point,1,3-Butanediol is susceptible to air oxidation during distillation under normal pressure, so it is advisable to distillation under reduced pressure.


1,3-Butanediol is odorless, slightly bitter, and sweet.
1,3-Butanediol has strong hygroscopicity and can absorb water equivalent to 12.5% of its own weight (when the relative humidity is 50%) or even 38.5% water (when the relative humidity is 80%).


1,3-Butanediol is one of four stable isomers of butanediol.
1,3-Butanediol belongs to the family of Secondary Alcohols.
These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).


1,3-Butanediol is an organic compound with the formula CH3CH(OH)CH2CH2OH.
With two alcohol functional groups, the molecule of 1,3-Butanediol is classified as a diol. 1,3-Butanediol is also chiral, but most studies do not distinguish the enantiomers.


1,3-Butanediol is a colorless, bittersweet, water-soluble liquid.
1,3-Butanediol is one of four common structural isomers of butanediol.
1,3-Butanediol is a butanediol compound having two hydroxy groups in the 1- and 3-positions.


1,3-Butanediol is a butanediol and a glycol.
1,3-Butanediol is found in pepper (c. annuum). 1,3-Butanediol is a solvent for flavouring agents.
1,3-Butanediol is an organic chemical, an alcohol.


1,3-Butanediol belongs to the family of Secondary Alcohols.
These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
1,3-Butanediol is a chiral compound that belongs to the group of organic compounds called diols.


1,3-Butanediol, an ethanol dimer providing a source of calories for human nutrition.
1,3-Butanediol is converted in the body to β-hydroxybutyrate and has cerebral protective and hypoglycaemic effect.
1,3-Butanediol can also react with carboxylic acids to form the corresponding chlorohydrin esters in the presence of chlorotrimethylsilane.


1,3-Butanediol is registered under the REACH Regulation and is manufactured in and / or imported to the European Economic Area, at ≥ 1 000 to < 10 000 tonnes per annum.
1,3-Butanediol has strong hygroscopicity.
A butanediol compound having two hydroxy groups in the 1- and 3-positions.



USES and APPLICATIONS of 1,3-BUTANEDIOL:
1,3-Butanediol is used as a soft emollient and also used in organic synthesis.
Application of 1,3-Butanediol: Solvent, monomer used in polyurethane and polyester resins, analytical reagent, substrate for organic syntheses.
1,3-Butanediol is used Solvent, monomer used in polyurethane and polyester resins, analytical reagent, substrate for organic syntheses


1,3-Butanediol is used for the production of plasticizers, unsaturated polyester resin.
1,3-Butanediol can also be used as an antibacterial agent for cheese or meat, an end-Group agent for oil-free alkyd resin, and a de-icing agent, a moisturizing agent and a coupling agent in the aviation industry.


At present, 1,3-butanediol is used mainly in surfactants, inks, solvents for natural and synthetic flavoring agents.
1,3-Butanediol is commonly used as a solvent for food flavouring agents and is a co-monomer used in certain polyurethane and polyester resins.
In biology, 1,3-butanediol is used as a hypoglycaemic agent.


1,3-Butanediol is used by consumers, in articles, by professional workers (widespread uses), in formulation or re-packing, at industrial sites and in manufacturing.
1,3-Butanediol is used in the following products: cosmetics and personal care products, perfumes and fragrances, washing & cleaning products and pharmaceuticals.


Other release to the environment of 1,3-Butanediol is likely to occur from: indoor use (e.g. machine wash liquids/detergents, automotive care products, paints and coating or adhesives, fragrances and air fresheners) and outdoor use as processing aid.
The fermentor has been shown to be effective at producing large quantities of 1,3-Butanediol in a short time period.


Cosmetic Uses of 1,3-Butanediol: fragrance, humectants, skin conditioning, solvents, and viscosity controlling agents
Other release to the environment of 1,3-Butanediol is likely to occur from: indoor use in long-life materials with low release rate (e.g. flooring, furniture, toys, construction materials, curtains, foot-wear, leather products, paper and cardboard products, electronic equipment).


1,3-Butanediol can be found in products with material based on: paper (e.g. tissues, feminine hygiene products, nappies, books, magazines, wallpaper).
1,3-Butanediol is used in the following products: cosmetics and personal care products, laboratory chemicals, metal surface treatment products, adhesives and sealants, fillers, putties, plasters, modelling clay, non-metal-surface treatment products and lubricants and greases.


1,3-Butanediol is used in the following areas: health services, scientific research and development and formulation of mixtures and/or re-packaging.
Other release to the environment of 1,3-Butanediol is likely to occur from: indoor use (e.g. machine wash liquids/detergents, automotive care products, paints and coating or adhesives, fragrances and air fresheners) and outdoor use as processing aid.


1,3-Butanediol is used in the following products: cosmetics and personal care products, pharmaceuticals, textile treatment products and dyes, washing & cleaning products, metal surface treatment products, adhesives and sealants, fillers, putties, plasters, modelling clay and non-metal-surface treatment products.


Release to the environment of 1,3-Butanediol can occur from industrial use: formulation of mixtures and formulation in materials.
1,3-Butanediol is used in the following products: polymers, pharmaceuticals, laboratory chemicals, non-metal-surface treatment products and paper chemicals and dyes.


1,3-Butanediol has an industrial use resulting in manufacture of another substance (use of intermediates).
1,3-Butanediol is used in the following areas: health services and scientific research and development.
1,3-Butanediol is used for the manufacture of: plastic products, chemicals, pulp, paper and paper products and machinery and vehicles.


Release to the environment of 1,3-Butanediol can occur from industrial use: as an intermediate step in further manufacturing of another substance (use of intermediates), for thermoplastic manufacture, as processing aid, in the production of articles and in processing aids at industrial sites.
Release to the environment of 1,3-Butanediol can occur from industrial use: manufacturing of the substance.


1,3-Butanediol is used in the synthesis of colchicine derivatives as anticancer agents.
1,3-Butanediol is also used in the synthesis of dual peroxisome proliferator-activated gamma and delta agonists acting as euglycemic agents in the treatment of diabetes.


1,3-Butanediol is used in flavoring.
1,3-Butanediol is commonly used as a solvent for food flavouring agents and is a co-monomer used in certain polyurethane and polyester resins.
1,3-Butanediol is one of four stable isomers of butanediol.


In biology, 1,3-butanediol is used as a hypoglycaemic agent.
1,3-Butanediol is used in the fermentation of Candida parapsilosis and other yeast species to produce enantiomerically pure (S)-(-)-1,3-butanediol.
The racemate can be converted into the two enantiomers by chemical means or by enzymatic resolution.


1,3-Butanediol is used as an intermediate in the manufacture of polyester plasticizers; as a humectant for cellophane and tobacco; in polyurethanes and special polyester resins; in surface active agents; as a coupling agent; as a solvent; as a food additive and flavoring; in the cosmetics and pharmaceutical industries as a glycerin substitute; for deicing of aircraft.


1,3-Butanediol may be used as a solvent in the preparation of 6-methoxy-2-benzoxazolinone via condensation reaction between 2-hydroxy-4-methoxyphenyJarnmonium chloride and urea.
The process for large-scale production is similar to that for ethanol fermentation, but with 2-propanol as substrate instead of glucose.



PRODUCTION AND USES OF 1,3-BUTANEDIOL:
Hydrogenation of 3-hydroxybutanal gives 1,3-butanediol:
CH3CH(OH)CH2CHO + H2 → CH3CH(OH)CH2CH2OH
Dehydration of 1,3-butanediol gives 1,3-butadiene:
CH3CH(OH)CH2CH2OH → CH2=CH-CH=CH2 + 2 H2O



OCCURRENCE OF 1,3-BUTANEDIOL:
1,3-Butanediol is used as a hypoglycaemic agent.
1,3-Butanediol has been detected in green bell peppers, orange bell peppers, pepper (Capsicum annuum), red bell peppers, and yellow bell peppers.
1,3-Butanediol, also referred to as 1,3-Butylene glycol, maintains FDA GRAS status as a flavor molecule.



PHYSICAL AND CHEMICAL PROPERTIES OF 1,3-BUTANEDIOL:
Transparent colorless hygroscopic viscous liquid, with weak special taste.
Almost no odor.
Boiling point 207.5 °c, relative density (4:1.0059, refractive index (nD20)1.4401, freezing point 1,3-Butanediol has a certain antibacterial effect.
1,3-Butanediol is miscible in water, acetone, soluble in ether.



PREPARATION METHOD OF 1,3-BUTANEDIOL:
using acetaldehyde as a raw material, 3-hydroxybutyraldehyde is produced by self-condensation in an alkali solution and then hydrogenated to Form 1,3-butanediol.



ALTERNATIVE PARENTS OF 1,3-BUTANEDIOL:
*Primary alcohols
*Hydrocarbon derivatives



SUBSTITUENTS OF 1,3-BUTANEDIOL:
*Secondary alcohol
*Hydrocarbon derivative
*Primary alcohol
*Aliphatic acyclic compound



COMPOUND TYPE OF 1,3-BUTANEDIOL:
*Flavouring Agent
*Food Toxin
*Household Toxin
*Industrial/Workplace Toxin
*Metabolite
*Natural Compound
*Organic Compound
*Plant Toxin
*Solvent



PHYSICAL and CHEMICAL PROPERTIES of 1,3-BUTANEDIOL:
Chemical formula: C4H10O2
Molar mass: 90.122 g·mol−1
Appearance: Colourless liquid
Density: 1.0053 g cm−3
Melting point: −50 °C (−58 °F; 223 K)
Boiling point: 204 to 210 °C; 399 to 410 °F; 477 to 483 K
Solubility in water: 1 kg dm−3
log P: −0.74
Vapor pressure: 8 Pa (at 20 °C)
Refractive index (nD): 1.44
Std molar entropy (S⦵298): 227.2 J K−1 mol−1
Std enthalpy of formation (ΔfH⦵298): −501 kJ mol−1
Std enthalpy of combustion (ΔcH⦵298): −2.5022
Physical state: liquid
Color: colorless, clear
Odor: odorless
Melting point/freezing point:
Melting point/freezing point: -57 °C - ISO 3016
Initial boiling point and boiling range: 203 - 204 °C - lit.
Flammability (solid, gas): No data available
Upper/lower flammability or explosive limits:
Upper explosion limit: 12,6 %(V)
Lower explosion limit: 1,9 %(V)

Flash point: 108 °C - closed cup
Autoignition temperature: 410 °C at 1.019 hPa - DIN 51794
Decomposition temperature: No data available
pH: 6,0 - 7,0 at 20 °C
Viscosity
Viscosity, kinematic: No data available
Viscosity, dynamic: 131,83 mPa.s at 20 °C - ASTM D 445
Water solubility 500 g/l at 20 °C
Partition coefficient: n-octanol/water: log Pow: -0,9 at 25 °C
Vapor pressure: 0,08 hPa at 20 °C
Density. 1,005 g/cm3 at 25 °C - lit.
Relative density: No data available
Relative vapor density: No data available
Particle characteristics: No data available
Explosive properties: No data available
Oxidizing properties: No data available
Other safety information:
Surface tension: 72,6 mN/m at 1g/l at 20 °C
Dissociation constant: 15,5 at 25 °C
Relative vapor density: 3,11 - (Air = 1.0)
CAS number: 107-88-0
EC number: 203-529-7
Hill Formula: C₄H₁₀O₂

Chemical formula: CH₃CH(OH)CH₂CH₂OH
Molar Mass: 90.12 g/mol
HS Code: 2905 39 20
Density: 1.00 g/cm3 (20 °C)
Explosion limit: 1.9 - 12.6 %(V)
Flash point: 108 °C
Ignition temperature: 410 °C DIN 51794
pH value: 6.0 - 7.0 (H₂O, 20 °C)
Vapor pressure: 0.08 hPa (20 °C)
Solubility: >500 g/l miscible
Molecular Weight: 90.12 g/mol
XLogP3-AA: -0.4
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 2
Exact Mass: 90.068079557 g/mol
Monoisotopic Mass: 90.068079557 g/mol
Topological Polar Surface Area: 40.5Ų
Heavy Atom Count: 6
Formal Charge: 0
Complexity: 28.7
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Molecular Formula / Molecular Weight: C4H10O2 = 90.12
Physical State (20 deg.C): Liquid
Store Under Inert Gas: Store under inert gas
Condition to Avoid: Hygroscopic
CAS RN: 107-88-0
Reaxys Registry Number: 1718945
PubChem Substance ID: 87563682
SDBS (AIST Spectral DB): 509
Merck Index (14): 1567
MDL Number: MFCD00004554
Molecular Weight: 90.12
Appearance: Liquid
Formula: C4H10O2
CAS No.: 107-88-0

SMILES: CC(O)CCO
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 1.00400 to 1.00700 @ 20.00 °C.
Pounds per Gallon - (est).: 8.364 to 8.389
Refractive Index: 1.43900 to 1.44100 @ 20.00 °C.
Melting Point: -50.00 °C. @ 760.00 mm Hg
Boiling Point: 207.50 °C. @ 760.00 mm Hg
Vapor Pressure: 0.020100 mmHg @ 25.00 °C.
Vapor Density: 3.2 ( Air = 1 )
Flash Point: 228.00 °F. TCC ( 108.89 °C. )
logP (o/w): -0.290
Soluble in: acetone, alcohol, water, 1.00E+06 mg/L @ 25 °C (exp)
Insoluble in: ether
XLogP3: -0.4
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 2
Exact Mass: 90.068079557 g/mol
Monoisotopic Mass: 90.068079557 g/mol
Topological Polar Surface Area: 40.5Ų
Heavy Atom Count: 6
Formal Charge: 0
Complexity: 28.7
Isotope Atom Count: 0

Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Storage: Store at RT
Refractive Index: n20/D 1.44 (lit.)
Stability: Stable.
LogP: log Kow = -0.29 (est)
Vapor Pressure: 0.02 [mmHg]
Henry's Law Constant: 2.4X10-9 atm-cu m/mol at 25 °C (est)
Dissociation Constants: pKa = 15.1 at 25 °C
Odor: Practically odorless
IUPAC Name: butane-1,3-diol
Canonical SMILES: CC(CCO)O
InChI: InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
InChI Key: PUPZLCDOIYMWBV-UHFFFAOYSA-N
Boiling Point: 207.0±0.0°C at 760 mmHg
Melting Point: -54 °C
Flash Point: 226.4 °F - closed cup
Purity: 99.5%
Density: 1.005±0.1 g/cm3
Solubility: Soluble in Chloroform (Sparingly), DMSO (Slightly), Methanol
Appearance: colourless liquid
Chemical Formula: C4H10O2

Average Molecular Weight: 90.121
Monoisotopic Molecular Weight: 90.068079564
IUPAC Name: butane-1,3-diol
Traditional Name: 1,3-butanediol
CAS Registry Number: 107-88-0
SMILES: CC(O)CCO
InChI Identifier: InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
InChI Key: PUPZLCDOIYMWBV-UHFFFAOYSA-N
Molecular Formula: C4H10O2
Molar Mass: 90.12
Density: 1.005g/mLat 25°C(lit.)
Melting Point: -54 °C
Boling Point: 203-204°C(lit.)
Flash Point: 250°F
Water Solubility: SOLUBLE
Solubility: It is miscible in water, acetone, and soluble in ether.
Vapor Presure: 0.06 mm Hg ( 20 °C)
Vapor Density: 3.1 (20 °C, vs air)
Appearance: Liquid
Specific Gravity: 1.004 – 1.007
Color: Clear colorless to yellow, may discolor to brown on storage
Merck: 14,1567
BRN: 1731276
pKa: 14.83±0.20(Predicted)
PH: 6.1 (500g/l, H2O, 20℃)

Storage Condition: Store below +30°C.
Stability: Stable.
Sensitive: Hygroscopic
Explosive Limit: 1.9-12.6%(V)
Refractive Index: n20/D 1.44(lit.)
MDL: MFCD00004554
Molecular Weight: 90.122
Exact Mass: 90.12
EC Number: 203-529-7
ICSC Number: 1182
NSC Number: 402145|6966
DSSTox ID: DTXSID8026773
Color/Form: Viscous liquid|Pure compound is colorless
HScode: 29053920
PSA: 40.5
XLogP3: -0.29 (est)
Appearance: Liquid
Density: 1.0059 g/cm3 @ Temp: 20 °C
Melting Point: Boiling Point: 207.5 °C @ Press: 760 Torr

Flash Point: 121°C
Refractive Index: n 20/D 1.44(lit.)
Water Solubility: Solubility in water: good
Storage Conditions: 2-8ºC
Vapor Pressure: Vapour pressure, Pa at 20°C: 8
Vapor Density: Relative vapour density (air = 1): 3.2
Explosive limit: 1.9-12.6%(V)
Odor: Practically odorless
Taste: Sweet flavor with bitter aftertaste
Henrys Law Constant: Henry's Law constant = 2.4X10-9 atm-cu m/mol at 25 °C (est)
Dissociation Constants: pKa = 15.1 at 25 °C
Solubility: (20 °C) soluble
Molar Mass: 90.12 g/mol
Boiling Point: 207.5 °C (1.013 hPa)
Vapor Pressure: 0.08 hPa (20 °C)
Flash Point: 121 °C
Refractive Index: 1.4395 (20 °C, 589 nm)
Explosion Limit: 1.8 - 9.4 %(V)
Density: 1.00 g/cm3 (20 °C)
pH: 6 - 7 (1 g/l, H2O)
Ignition Point: 440 °C DIN 51794



FIRST AID MEASURES of 1,3-BUTANEDIOL:
-Description of first-aid measures:
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation:
Fresh air.
*In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with
water/ shower.
*In case of eye contact:
After eye contact:
Rinse out with plenty of water.
Call in ophthalmologist.
Remove contact lenses.
*If swallowed:
After swallowing:
Immediately make victim drink water (two glasses at most).
Consult a physician.
-Indication of any immediate medical attention and special treatment needed:
No data available



ACCIDENTAL RELEASE MEASURES of 1,3-BUTANEDIOL:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up with liquid-absorbent material.
Dispose of properly.
Clean up affected area.



FIRE FIGHTING MEASURES of 1,3-BUTANEDIOL:
-Extinguishing media:
*Suitable extinguishing media:
Water
Foam
Carbon dioxide (CO2)
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.



EXPOSURE CONTROLS/PERSONAL PROTECTION of 1,3-BUTANEDIOL:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
Safety glasses
*Skin protection:
Handle with gloves.
Wash and dry hands.
Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Splash contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
*Body Protection:
protective clothing
-Control of environmental exposure:
Do not let product enter drains.



HANDLING and STORAGE of 1,3-BUTANEDIOL:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
hygroscopic



STABILITY and REACTIVITY of 1,3-BUTANEDIOL:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature) .
-Incompatible materials:
No data available



SYNONYMS:
Butane-1,3-diol
1,3-butylene glycol
butane-1,3-diol
1,3-dihydroxybutane
1,3-Butylene glycol
1,3-BUTANEDIOL
Butane-1,3-diol
107-88-0
1,3-Butylene glycol
Butylene glycol
1,3-Dihydroxybutane
Methyltrimethylene glycol
1,3 Butylene glycol
1,3-Butandiol
beta-Butylene glycol
1-Methyl-1,3-propanediol
(+/-)-1,3-Butanediol
(RS)-1,3-Butandiol
1,3-Butylenglykol
1,3-Butanodiol
.beta.-Butylene glycol
Caswell No. 128GG
NSC 402145
NSC-402145
HSDB 153
EINECS 203-529-7
BUTANEDIOL,1,3-
UNII-3XUS85K0RA
BRN 1731276
3XUS85K0RA
(R)-1,3-butanediol
AI3-11077
DTXSID8026773
CHEBI:52683
NSC6966
EC 203-529-7
0-01-00-00477 (Beilstein Handbook Reference)
DTXCID306773
1,3-butane diol
CAS-107-88-0
1,3-Butanediol, (R)-
1,3-Butanediol, (S)-
Jeechem Bugl
MFCD00064277
b-Butylene glycol
1.3-butanediol
1,3 -butanediol
1,3-butilenglicol
MFCD00004554
1 3-Dihydroxybutane
1,3-Dihidroxibutano
3-hydroxy-1-butanol
Butanediol, 1,3-
DL-1,3-butanediol
DL-1 3-Butanediol
1 3-Butylene glycol
Butylene glycol (NF)
(RS)-13-Butanediol
(S)-(+)-butanediol
racemic 1,3-butanediol
BUTANEDIOL,3-
(RS)-1,3-butanodiol
1,3-butanediol, DL-
(RS)-1 3-Butanediol
(RS)-1,3-Butanediol
Butane- 1, 3- diol
1-metil-1,3-propanodiol
butane - 1,3 - diol
Niax DP 1022
(+-)-Butane-13-diol
Butylene glycol (1,3-)
1-Methyl-1 3-propanediol
(+-)-butano-1,3-diol
(+/-) 1,3 butandiol
(+/-)-1,3-butandiol
13BGK
C(CO)C(C)O
BUTYLENE GLYCOL [II]
BUTYLENE GLYCOL [INCI]
(.+/-.)-1,3-Butanediol
CHEMBL3186475
WLN: QY1 & 2Q
1,3-BUTANEDIOL [HSDB]
1,3-BUTANDIOL [WHO-DD]
1,3-Butanediol, (.+/-.)-
1,3-BUTYLENE GLYCOL [MI]
NSC-6966
1,3-BUTYLENE GLYCOL [FCC]
Tox21_202408
Tox21_300085
1,3 BUTYLENE GLYCOL [FHFI]
BBL037424
BUTANE-1,3-DIOL [USP-RS]
Butylene Glycol (Butane-1,3-diol)
HY-77490A
NSC402145
STL483070
AKOS000119043
DB14110
LS-2597
SB44648
SB44659
SB83779
NCGC00247900-01
NCGC00247900-02
NCGC00253944-01
NCGC00259957-01
SY049450
1,3 BUTYLENE GLYCOL, (+/-)-
(+/-)-1,3-Butanediol, analytical standard
B0679
B3770
CS-0115644
FT-0605126
FT-0605294
FT-0606593
EN300-19320
(+/-)-1,3-Butanediol, anhydrous, >=99%
1,3-Butanediol 100 microg/mL in Acetonitrile
C20335
D10695
F82621
Q161496
(+/-)-1,3-Butanediol, ReagentPlus(R), 99.5%
J-002028
(+/-)-1,3-Butanediol, ReagentPlus(R), >=99.0%
(+/-)-1,3-Butanediol, SAJ first grade, >=98.0%
(+/-)-1,3-Butanediol, Vetec(TM) reagent grade, 98%
F8880-3340
Butane-1,3-diol, United States Pharmacopeia (USP) Reference Standard
55251-78-0
β-Butylene glycol
Methyltrimethylene glycol
1-Methyl-1,3-propanediol
1,3-Butylene glycol
1,3-Dihydroxybutane
Butane-1,3-diol
BD; 1,3-Butandiol
1,3-Butylenglykol
1,3-Butanodiol
Butanediol,1,3-
(RS)-1,3-Butanediol
Butylene glycol
NSC 402145
Butylene Glycol
1,3-Butandiol
1,3-Butanodiol
1,3-butylene
1,3-Butylenglykol
1,3-Dihydroxybotane
1-Methyl-1,3-propanediol
1,3-butylene glycol
β-butylene glycol
methyltrimethylene glycol
(±)-Butane-1,3-diol
NSC 402145
(RS)-1,3-Butanediol
(±)-Butane-1,3-diol
1,3-Butylene Glycol
1,3-Dihydroxybutane
1-Methyl-1,3-propanediol
13BGK
3-Hydroxy-1-butanol
Butylene Glycol
DL-1,3-Butanediol
Jeechem Bugl
Methyltrimethylene Glycol
NSC 402145
Niax DP 1022
β-Butylene Glycol
(RS)-1,3-Butandiol
1,3 Butylene glycol
1,3-Butandiol
1,3-Butylene glycol
1,3-Butylenglykol
1,3-Dihydroxybutane
1-Methyl-1,3-propanediol
beta-Butylene glycol
Methyltrimethylene glycol
b-Butylene glycol
Β-butylene glycol
1,3-Butylene glycol, (14)C-labeled
1,3-Butylene glycol, (DL)-isomer
1,3-Butylene glycol, (R)-isomer
1,3-Butylene glycol, (S)-isomer
Butylene glycol
(+/-)-1,3-butanediol
(.+/-.)-1,3-butanediol
(R)-(-)-Butane-1,3-diol
(R)-1,3-Butanediol
(S)-(+)-1,3-Butanediol
(S)-(+)-Butane-1,3-diol
(S)-1,3-Butanediol
1,3-Butanodiol
BD
Butane-1,3-diol
DL-1,3-Butanediol
1,3-Butanediol
Butanediol
1,3-Butandiol
1,3-Butanediol
butane-1,3-diol
Methyltrimethylene
(±)-butane-1,3-diol
1,3-DIHYDROXYBUTANE
(3S)-butane-1,3-diol
(3R)-butane-1,3-diol
methyltrimethyleneglycol
Methyltrimethylene glycol
1-METHYLTRIMETHYLENE GLYCOL
1,3-BUTANEDIOL
1,3-Butylene glycol
1,3-Dihydroxybutane
Methyltrimethylene glycol
C4H10O2/CH3CHOHCH2CH2OH
Molecular mass: 90.1
CAS # 107-88-0
RTECS # EK0440000
ICSC # 1182
1,3-Butanediol
β-Butylene glycol
1,3-Butylene glycol
1,3-Dihydroxybutane
Methyltrimethylene glycol
1-Methyl-1,3-propanediol
Butylene glycol
3-Hydroxy-1-butanol
DL-1,3-Butanediol
(±)-Butane-1,3-diol
(RS)-1,3-Butanediol
NSC 402145
13BGK
Jeechem Bugl
Niax DP 1022
Haisugarcane BG
Celtol 1,3-BG
18826-95-4
817176-75-3
(+/-)-1,3-Butanediol
(.+/-.)-1,3-Butanediol
(R)-(-)-Butane-1,3-diol
(R)-1,3-Butanediol
(RS)-1,3-Butandiol
(S)-(+)-1,3-Butanediol
(S)-(+)-Butane-1,3-diol
(S)-1,3-Butanediol
1,3 Butylene glycol
1,3-Butandiol




1,3-BUTANEDIOL
1,3-Butanediol is an organic chemical which belongs to the family of secondary alcohols.
At present, 1,3-butanediol is used mainly in surfactants, inks, solvents for natural and synthetic flavoring agents and serves as a co-monomer in manufacturing certain polyurethane and polyester resins.
1,3-Butanediol can also serve as a humectant to prevent loss of moisture in cosmetics, particularly in hair sprays and setting lotions.

CAS: 107-88-0
MF: C4H10O2
MW: 90.12
EINECS: 203-529-7

Besides, 1,3-Butanediol is pharmaceutically involved in the production of colchicine derivatives as a anticancer agent and in the synthesis of dual peroxisome proliferator-activated gamma and delta agonists acting as a hypoglycaemic agent, which is effective for the treatment of diabetes.
A butanediol compound having two hydroxy groups in the 1- and 3-positions.
1,3-Butanediol (BD) is a 1,3-diol.
1,3-Butanediol's vapor pressure upto 270kPa, liquid-phase densities over a temperature range, two-phase (liquid + vapor) heat capacities, critical temperature and critical density have been determined.

The obtained data was employed to derive various thermophysical properties.
1,3-Butanediol is an organic compound with the formula CH3CH(OH)CH2CH2OH.
With two alcohol functional groups, the molecule is classified as a diol.
1,3-Butanediol is also chiral, but most studies do not distinguish the enantiomers.
1,3-Butanediol is a colorless, bittersweet, water-soluble liquid.
1,3-Butanediol is one of four common structural isomers of butanediol.
1,3-Butanediol is used in flavoring.

1,3-Butanediol Chemical Properties
Melting point: -54 °C
Boiling point: 203-204 °C(lit.)
Density: 1.005 g/mL at 25 °C(lit.)
Vapor density: 3.1 (20 °C, vs air)
Vapor pressure: 0.06 mm Hg ( 20 °C)
Refractive index: n20/D 1.44(lit.)
Fp: 250 °F
Storage temp.: Store below +30°C.
Solubility: >500g/lMiscible
Form: Liquid
pka: 14.83±0.20(Predicted)
Specific Gravity: 1.004 – 1.007
Color: Clear colorless to yellow, may discolor to brown on storage
PH: 6.1 (500g/l, H2O, 20℃)
Odor: odorless
PH Range: 6 - 7 at 20 °C
Explosive limit: 1.9-12.6%(V)
Water Solubility: SOLUBLE
Sensitive: Hygroscopic
Merck: 14,1567
BRN: 1731276
Stability: Stable. Flammable. Hygroscopic - protect from air and moisture. Incompatible with strong oxidizing agents.
LogP: -0.9 at 25℃
CAS DataBase Reference: 107-88-0(CAS DataBase Reference)
NIST Chemistry Reference: 1,3-Butanediol(107-88-0)
EPA Substance Registry System: 1,3-Butanediol (107-88-0)

1,3-Butanediol has a sweet flavor with bitter aftertaste and is odorless when pure.
1,3-Butanediol occurs as a clear, colorless, viscous liquid with a sweet flavor and bitter aftertaste.

Uses
1,3-Butanediol is used in the synthesis of colchicine derivatives as anticancer agents.
Also used in the synthesis of dual peroxisome proliferator-activated gamma and delta agonists acting as euglycem ic agents in the treatment of diabetes.
1,3-Butanediol's most extensive use is as an intermediate in the manufacture of polyester plasticisers and other chemical products.
1,3-Butanediol finds some use as a solvent and humectant, a useful chemical intermediate.
1,3-Butanediol has extensive application in the manufacture of structural materials for boats, custom mouldings, and sheets and boards for construction applications.
1,3-Butanediol imparts resistance to weathering plus flexibility and impact resistance.
1,3-Butanediol is also used in the manufacture of saturated polyesters for polyurethane coatings, where the glycol imparts greater flexibility to the polyester molecule.

1,3-Butanediol is currently used in many personal care products.
(^+)-1,3-Butanediol acts as a co-monomer in the production of polyurethane and polyester resins.
1,3-Butanediol is used as a humectant (to prevent loss of moisture) in cosmetics, especially in hair sprays and setting lotions.
1,3-Butanediol is used in surfactants, inks, solvents for natural and synthetic flavorings.
1,3-Butanediol is involved in the synthesis of dual peroxisome proliferator-activated gamma and delta agonists acting as euglycemic agents, which is used in the treatment of diabetes.

Pharmaceutical Applications
1,3-Butanediol is used as a solvent and cosolvent for injectables.
1,3-Butanediol is used in topical ointments, creams, and lotions, and it is also used as a vehicle in transdermal patches.
1,3-Butanediol is a good solvent for many pharmaceuticals, especially estrogenic substances.
In an oil-in-water emulsion, butylene glycol exerts its best antimicrobial effects at ~8% concentration.
Higher concentrations above 16.7% are required to inhibit fungal growth.

Contact allergens
This dihydric alcohol is used for its humectant and preservative potentiator properties in cosmetics, topical medicaments and polyurethane, polyester, cellophane, and cigarettes.
1,3-Butanediol has similar properties, but is less irritant than propylene glycol.
Contact allergies seem to be rare.

Production
Hydrogenation of 3-hydroxybutanal gives 1,3-butanediol:
CH3CH(OH)CH2CHO + H2 → CH3CH(OH)CH2CH2OH

Dehydration of 1,3-butanediol gives 1,3-butadiene:
CH3CH(OH)CH2CH2OH → CH2=CH-CH=CH2 + 2 H2O

Synonyms
1,3-BUTANEDIOL
Butane-1,3-diol
107-88-0
1,3-Butylene glycol
Butylene glycol
1,3-Dihydroxybutane
Methyltrimethylene glycol
1,3 Butylene glycol
1,3-Butandiol
beta-Butylene glycol
1-Methyl-1,3-propanediol
(+/-)-1,3-Butanediol
(RS)-1,3-Butandiol
1,3-Butylenglykol
1,3-Butanodiol
.beta.-Butylene glycol
Caswell No. 128GG
1,3-Butandiol [German]
BD
1,3-Butylenglykol [German]
NSC 402145
NSC-402145
HSDB 153
EINECS 203-529-7
BUTANEDIOL,1,3-
UNII-3XUS85K0RA
BRN 1731276
3XUS85K0RA
(R)-1,3-butanediol
AI3-11077
DTXSID8026773
CHEBI:52683
NSC6966
EC 203-529-7
0-01-00-00477 (Beilstein Handbook Reference)
DTXCID306773
1,3-butane diol
CAS-107-88-0
1,3-Butanediol, (R)-
1,3-Butanediol, (S)-
Jeechem Bugl
MFCD00064277
b-Butylene glycol
1.3-butanediol
1,3 -butanediol
1,3-butilenglicol
MFCD00004554
1 3-Dihydroxybutane
1,3-Dihidroxibutano
3-hydroxy-1-butanol
Butanediol, 1,3-
DL-1,3-butanediol
DL-1 3-Butanediol
1 3-Butylene glycol
Butylene glycol (NF)
(RS)-13-Butanediol
(S)-(+)-butanediol
racemic 1,3-butanediol
BUTANEDIOL,3-
(RS)-1,3-butanodiol
1,3-butanediol, DL-
(RS)-1 3-Butanediol
(RS)-1,3-Butanediol
Butane- 1, 3- diol
1-metil-1,3-propanodiol
butane - 1,3 - diol
Niax DP 1022
(+-)-Butane-13-diol
Butylene glycol (1,3-)
1-Methyl-1 3-propanediol
(+-)-butano-1,3-diol
(+/-) 1,3 butandiol
(+/-)-1,3-butandiol
13BGK
C(CO)C(C)O
BUTYLENE GLYCOL [II]
BUTYLENE GLYCOL [INCI]
(.+/-.)-1,3-Butanediol
CHEMBL3186475
WLN: QY1 & 2Q
1,3-BUTANEDIOL [HSDB]
1,3-BUTANDIOL [WHO-DD]
1,3-Butanediol, (.+/-.)-
1,3-BUTYLENE GLYCOL [MI]
NSC-6966
1,3-BUTYLENE GLYCOL [FCC]
Tox21_202408
Tox21_300085
1,3 BUTYLENE GLYCOL [FHFI]
BBL037424
BUTANE-1,3-DIOL [USP-RS]
Butylene Glycol (Butane-1,3-diol)
HY-77490A
NSC402145
STL483070
AKOS000119043
DB14110
LS-2597
SB44648
SB44659
SB83779
NCGC00247900-01
NCGC00247900-02
NCGC00253944-01
NCGC00259957-01
SY049450
1,3 BUTYLENE GLYCOL, (+/-)-
(+/-)-1,3-Butanediol, analytical standard
B0679
B3770
CS-0115644
FT-0605126
FT-0605294
FT-0606593
EN300-19320
(+/-)-1,3-Butanediol, anhydrous, >=99%
1,3-Butanediol 100 microg/mL in Acetonitrile
C20335
D10695
F82621
Q161496
(+/-)-1,3-Butanediol, ReagentPlus(R), 99.5%
J-002028
(+/-)-1,3-Butanediol, ReagentPlus(R), >=99.0%
(+/-)-1,3-Butanediol, SAJ first grade, >=98.0%
(+/-)-1,3-Butanediol, Vetec(TM) reagent grade, 98%
F8880-3340
Butane-1,3-diol, United States Pharmacopeia (USP) Reference Standard
55251-78-0
1,3-BUTANEDIOL PHARMA GRADE
1,3-Butanediol pharma grade, is a pharmaceutical-grade compound of highest quality, with a guaranteed purity of 98% (C6H8F6O2).
The term "pharma grade" indicates that 1,3-Butanediol pharma grade meets the specifications and standards required for use in pharmaceutical applications.
1,3-Butanediol pharma grade is a colorless, bittersweet, water-soluble liquid.

CAS Number: 2413407-77-7
Molecular Formula: C4H8F2O2
Molecular Weight: 126.1

(S)-butane-1,3-diol, (S)-(+)-Butane-1,3-diol (1,3-Butanediol), 24621-61-2, (3S)-butane-1,3-diol, Butane-1,3-diol (1,3-Butanediol), (3S)-, (S)-Butane-1,3-diol (1,3-Butanediol), (S)-(+)-Butane-1,3-diol, CHEBI:52688, BU2, Butane-1,3-diol (1,3-Butanediol), (S)-, MFCD00064278, EINECS 246-363-0, S-Butane-1,3-diol (1,3-Butanediol), D-Butane-1,3-diol, (+)-Butane-1,3-diol (1,3-Butanediol), CHEMBL1231501, (S)-(+)-1,3-Dihydroxybutane, (S)-(+)-1,3-Butylene Glycol, AKOS015838960, CS-W016671, DB02202, (S)-(+)-Butane-1,3-diol (1,3-Butanediol), 98%, AS-11117, B1160, EN300-6950561, A817400, J-015593, Q63390504

1,3-Butanediol pharma grade, also known as 1,3-butylene glycol, is a chemical compound with the molecular formula C4H8F2O2.
1,3-Butanediol pharma grade’s systematic consistency ensures performance superiority across various chemical processes in the pharmaceutical and chemical industries.
1,3-Butanediol pharma grade is a bio-derivative applied to various products in the pharmaceutical, food, and cosmetic industry.

1,3-Butanediol pharma grade's use in cosmetic beauty products, such as lotions, where it will be used in a high purity context.
1,3-Butanediol pharma grade's ability to retain moisture in cosmetic products is what makes it desirable among consumers.
1,3-Butanediol pharma grade is a diol, meaning it has two hydroxyl (OH) functional groups.

1,3-Butanediol pharma grade is a four-carbon molecule with the hydroxyl groups attached to different carbon atoms, specifically carbon atoms 1 and 3.
The kinetics of oxidation of 1,3-Butanediol pharma grade by dihydroxyditelluto- argentate(III) were studied spectrophotometrically between 298.2 and 313.2 K in alkaline medium.
1,3-Butanediol pharma grade, also known as b-butylene glycol or BD, belongs to the class of organic compounds known as secondary alcohols.

1,3-Butanediol pharma grade can also serve as a humectant to prevent loss of moisture in cosmetics, particularly in hair sprays and setting lotions.
1,3-Butanediol pharma grade is an organic compound which has a boiling point of 208.degree under ordinary pressure, is viscous, colorless, transparent and low odor, exhibits an excellent solubility and a capability of producing chemically-stable derivatives, and is a useful compound as a solvent for coatings, starting materials for various synthetic resins and surfactants, a high-boiling-point solvent and antifreeze, food supplements, animal food supplements, a humectant for tobacco composition and an intermediate for preparation of various other compounds.

Recently in particular, high-quality odorless 1,3-Butanediol pharma grade has been used as a solvent for toiletry products in the field of cosmetics due to its excellent moisture absorptive property, low volatility, low irritation and low toxicity.
However, the scope for the application of 1,3-Butanediol pharma grade is limited due to a very minor quantity of residual odor.
Most recently in particular, further improvement in the quality and the yield of an odorless, so-called "cosmetic grade" 1,3-Butanediol pharma grade has been strongly desired.

1,3-Butanediol pharma grade acts as an emollient, humectant and solubilizer.
1,3-Butanediol pharma grade offers light feel and provides conditioning & functionality to the skin and the hair.
1,3-Butanediol pharma grade may be used as a solvent in the preparation of 6-methoxy-2-benzoxazolinone via condensation reaction between 2-hydroxy-4-methoxyphenyJarnmonium chloride and urea.

1,3-Butanediol pharma grade can also react with carboxylic acids to form the corresponding chlorohydrin esters in the presence of chlorotrimethylsilane.
1,3-Butanediol pharma grade is used for its high penetrating ability, for it is known to help deliver skin actives to the skin.
1,3-Butanediol pharma grade is used in cosmetic and personal care products.

The present invention relates to an improved process for the preparation of 1,3-Butanediol pharma grade.
In particular, the present invention relates to the improvements of a process for the preparation of 1,3-Butanediol pharma grade.
1,3-Butanediol pharma grade having high quality (e.g. odorless) at a high yield.

1,3-Butanediol pharma grade is an organic compound with the formula CH3CH(OH)CH2CH2OH.
With two alcohol functional groups, the molecule is classified as a diol.
1,3-Butanediol pharma grade can be a precursor for the synthesis of other chemicals.

1,3-Butanediol pharma grade also helps in the preservation of cosmetics against spoilage by micro-organisms.
The market for beauty products is driven by increasing aging population, and increasing disposable income.
This is expected to drive the growth in demand of 1,3-Butanediol pharma grade worldwide.

1,3-Butanediol pharma grade market revenue is projected to cross $269.1 million by 2030, according to the market research report published , the market is growing due to booming sales of cosmetics.
1,3-Butanediol pharma grade market research study includes in-depth data on the number of large companies involved in the market, supply chain/value chain trends, corporate finance, technological advancements, and key discovery & development, acquisitions & mergers, joint ventures, prime areas of focus, investment, and market presence.
The research studies provide important data such as market revenue, growth rate and industry share of the target market, as well as other information such as current drivers, macro trends and constraints, as well as favorable prospects for major industry players.

1,3-Butanediol pharma grade market has been segmented by application, product type, region and country.
1,3-Butanediol pharma grade is used as a humectant and emollient in cosmetic products, preventing them from drying out and losing their aroma.
1,3-Butanediol pharma grade, and engaging in partnerships with each other in order to make the most of the market opportunities.

1,3-Butanediol pharma grade is used as a raw material and approved by ECOCERT GREENLIFE and conforms to the ECOCERT & COSMOS standards.
Alternative solvent to Propylene Glycol or Glycerol superior in technological and biological effects.
As humectant, 1,3-Butanediol pharma grade prevents the drying out of cosmetics.

1,3-Butanediol pharma grade Prevents crystallization of insolubles.
Compared with 1,3-Butanediol pharma grade, Sorbitol, and Propylene Glycol, more efficient polyol as antimicrobial agent.
inhibits gram-positive and gram-negative microorganisms as well as molds and yeasts, but is not sporicidal.

All polyols need a contact period of at least one week to exert their effect as preservatives.
1,3-Butanediol pharma grade has been shown to inhibit growth of escherichia coli, sal. typhiosa and pseudomonas aeruginosa, whereas funghi areinhibited only above 17 %.
1,3-Butanediol pharma grade is a small organic alcohol used as solvent and conditioning agent.

1,3-Butanediol pharma grade which has a high purity and is free from the problem of odor; and a process for producing the 1,3-butylene glycol.
The process in which an acetaldol obtained by the condensation of acetaldehyde is hydrogenated in the presence of a catalyst to synthesize 1,3-Butanediol pharma grade is characterized by using a means selected among to use a Raney nickel having high hydrogenation activity as a catalyst for the hydrogenation, to conduct the condensation reaction in the presence of a basic catalyst and conduct the hydrogenation reaction in an acidic system, to make the crude hydrogenation reaction mixture basic, distill off the alcohol, and then distill the residue, and to treat a 1,3-butylene glycol fraction obtained by distilling the crude hydrogenation reaction mixture
with ozone.

1,3-Butanediol pharma grade can be used as a solvent, co-solvent, or an intermediate in the synthesis of various pharmaceutical compounds.
1,3-Butanediol pharma gradehas good solvent properties and can be utilized in formulations where its solubility characteristics are advantageous.
1,3-Butanediol pharma grade is also used in the polymer industry for the production of certain polymers.

1,3-Butanediol pharma grade may be employed as a humectant, which is a substance used to retain moisture, in formulations such as cosmetics and personal care products.
1,3-Butanediol pharma grade serves as a building block in the synthesis of other chemicals and compounds.
1,3-Butanediol pharma grade standards ensure that the substance meets specific purity and quality criteria suitable for pharmaceutical applications.

This includes stringent control of impurities to ensure the safety and efficacy of the final pharmaceutical product.
As with any chemical, proper handling, storage, and usage practices should be followed to ensure safety.
Compliance with regulatory requirements and guidelines is crucial when using 1,3-Butanediol pharma grade in pharmaceutical manufacturing.

Also provided are a method in which the butanol yielded as a by-product in the production of 1,3-Butanediol pharma grade is purified by a chemical treatment and a process for producing butyl acetate from the purified butanol.
1,3-Butanediol pharma grade is a multifunctional emollient used in various personal care applications in Skin Care, Hair Care and Colour Cosmetics.
1,3-Butanediol pharma grade is also used in process of Plant Extractions as its properties are preferred over water.

1,3-Butanediol pharma grade is used in the product as a solvent.
1,3-Butanediol pharma grade dissolves materials that are not very soluble in water.
This means you get a more effective product because the dissolved ingredients can spread to skin better and be absorbed.

In addition, they can have antimicrobial effects and are effective as preservatives in cosmetics.
For example, 1,3-Butanediol pharma grade can be dehydrated to form butenes, which are valuable chemical intermediates.
With an increasing emphasis on sustainable and bio-based materials, 1,3-Butanediol pharma grade has been considered as a potential feedstock for the production of bio based polymers, providing an alternative to petroleum-derived materials.

1,3-Butanediol pharma grade can be dehydrated to produce butyrolactone, another important chemical intermediate used in the synthesis of various chemicals, including certain polymers.
As with any chemical, regulatory agencies in different countries may have specific guidelines and restrictions on the production, use, and handling of 1,3-Butanediol pharma grade.
1,3-Butanediol pharma grade's important to be aware of and comply with these regulations.

1,3-Butanediol pharma grade is also chiral, but most studies do not distinguish the enantiomers.
1,3-Butanediol pharma grade is one of four common structural isomers of butanediol.
1,3-Butanediol pharma grade is used in flavoring.

1,3-Butanediol pharma grade, also known as 1,3-butanediol, is a chemical compound with the molecular formula C4H10O2.
1,3-Butanediol pharma grade is a type of diol or glycol, which means it has two hydroxyl (OH) groups.
The "1,3" in its name indicates the positions of the two hydroxyl groups on the carbon chain.

1,3-Butanediol pharma grade is a colorless, viscous liquid with a slightly sweet taste.
1,3-Butanediol pharma grade is used for various industrial purposes.
One significant application is as a precursor in the production of certain polymers, such as polybutylene terephthalate (PBT), which is a type of thermoplastic polyester.

1,3-Butanediol pharma grade is used as a hypoglycaemic agent.
1,3-Butanediol pharma grade has been detected in green bell peppers, orange bell peppers, pepper (Capsicum annuum), red bell peppers, and yellow bell peppers.
1,3 Butanediol, also referred to as 1,3-Butylene glycol, maintains FDA GRAS status as a flavor molecule.

Hydrogenation of 3-hydroxybutanal gives 1,3-Butanediol pharma grade:
CH3CH(OH)CH2CHO + H2 → CH3CH(OH)CH2CH2OH
Dehydration of 1,3-Butanediol pharma grade gives 1,3-butadiene:
CH3CH(OH)CH2CH2OH → CH2=CH-CH=CH2 + 2 H2O

Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
1,3-Butanediol pharma grade is a bitter and odorless tasting compound.
1,3-Butanediol pharma grade has been detected, but not quantified, in several different foods, such as green bell peppers, orange bell peppers, pepper (c. annuum), red bell peppers, and yellow bell peppers.

1,3-Butanediol pharma grade, or let’s just call it BG, is a multi-tasking colorless, syrupy liquid.
1,3-Butanediol pharma grade’s a great pick for creating a nice feeling product.
1,3-Butanediol pharma grade’s main job is usually to be a solvent for the other ingredients.

Other tasks include helping the product to absorb faster and deeper into the skin (penetration enhancer), making the product spread nicely over the skin (slip agent), and attracting water (humectant) into the skin.
1,3-Butanediol pharma grade is an ingredient whose safety hasn’t been questioned so far by anyone (at least not that we know about).
1,3-Butanediol pharma grade is approved by Ecocert and is also used enthusiastically in natural products.

1,3-Butanediol pharma grade’s also a food additive.
1,3-Butanediol pharma grade a potential biomarker for the consumption of these foods.
A butanediol compound having two hydroxy groups in the 1- and 3-positions.

Belongs to the class of organic compounds known as secondary alcohols.
Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
1,3-Butanediol pharma grade is a chiral compound that belongs to the group of organic compounds called diols.

1,3-Butanediol pharma grade is used in the fermentation of Candida parapsilosis and other yeast species to produce enantiomerically pure 1,3-Butanediol pharma grade.
The racemate can be converted into the two enantiomers by chemical means or by enzymatic resolution.
The process for large-scale production is similar to that for ethanol fermentation, but with 2-propanol as substrate instead of glucose.

The fermentor has been shown to be effective at producing large quantities of 1,3-Butanediol pharma grade in a short time period.
1,3-Butanediol pharma grade is an organic chemical which belongs to the family of secondary alcohols.
At present, 1,3-Butanediol pharma grade is used mainly in surfactants, inks, solvents for natural and synthetic flavoring agents and serves as a co-monomer in manufacturing certain polyurethane and polyester resins.

1,3-Butanediol pharma grade is an organic chemical, an alcohol.
1,3-Butanediol pharma grade is commonly used as a solvent for food flavouring agents and is a co-monomer used in certain polyurethane and polyester resins.
1,3-Butanediol pharma grade is one of four stable structural isomers of butanediol.

In biology, 1,3-Butanediol pharma grade is used as a hypoglycaemic agent.
1,3-Butanediol pharma grade can be converted into β-hydroxybutyrate and serve as a substrate for brain metabolism.
The chemical structure consists of a four-carbon chain with two hydroxyl groups (-OH) attached to carbon atoms 1 and 3.

1,3-Butanediol pharma grade is a natural diol, very pure, clear and odourless liquid.
1,3-Butanediol pharma grade is a common humectant used in cosmetic as moisturizer for the skin, solvent, fragrance enhancer.
1,3-Butanediol pharma grade is well known in cosmetic for its good moisturizing proprieties and for improving preservative systems.

1,3-Butanediol pharma grade inhibits gram-positive and gram-negative microorganisms as well as moulds and yeasts.
1,3-Butanediol pharma grade is water soluble at room temperature and can be added directly in aqueous phase.
1,3-Butanediol pharma grade boosts the performance of the preservative system and stabilizes the formulations.

1,3-Butanediol pharma grade is an organic compound with the formula CH3CH(OH)CH2CH2OH.
With two alcohol functional groups, the molecule is classified as a diol.
1,3-Butanediol pharma grade is a colorless, bittersweet, water-soluble liquid.

1,3-Butanediol pharma grade is one of four common structural isomers of butanediol.
1,3-Butanediol pharma grade is an organic compound with the formula, with two alcohol functional groups, the molecule is classified as a diol.
1,3-Butanediol pharma grade is a colorless, water-soluble liquid.

1,3-Butanediol pharma grade is one of four common structural isomers of butanediol.
1,3-Butanediol pharma grade is used as a multifunctional Emollient and Humectant.
1,3-Butanediol pharma grade is widely used in Skin-Care and Haircare Formulations and other Personal Care applications such as Cosmetic Face Masks.

1,3-Butanediol pharma grade can be produced through various methods, including chemical synthesis and fermentation processes.
Chemical synthesis often involves the catalytic hydrogenation of acetylacetone or hydroformylation of allyl alcohol.
1,3-Butanediol pharma grade is used in the production of polymers, such as polybutylene terephthalate (PBT), which is employed in the manufacturing of fibers, films, and engineering plastics.

1,3-Butanediol pharma grade serves as a chemical intermediate in the synthesis of various compounds, including pharmaceuticals, plasticizers, and solvents.
Some strains of bacteria and yeast can produce 1,3-Butanediol pharma grade through fermentation processes.
This biological route is of interest for sustainable and eco-friendly production.

1,3-Butanediol pharma grade is a viscous liquid at room temperature.
1,3-Butanediol pharma grade has a slightly sweet taste.
1,3-Butanediol pharma grade is soluble in water and has a relatively low melting point.

1,3-Butanediol pharma grade is used as an intermediate for the manufacture of polyester plasticisers and unsaturated polyester resins and polyurethane paints.
In heavy duty brake-fluid formulations, gelling agent for gelatin and similar proteins, humectant for cellophane, tobacco, unsaturated polyester resins and resins for polyurethane paints, Alkyd resin paints and wetting agent in inks.
As with any chemical, safety precautions should be taken during handling.

1,3-Butanediol pharma grade is important to be aware of the material safety data sheet (MSDS) and follow recommended safety guidelines.
Beyond industrial applications, 1,3-Butanediol pharma grade has gained attention for its potential use in the production of biofuels and as a precursor for renewable chemicals.
1,3-Butanediol pharma grade is an organic compound with molecular formula C4H10O2.

1,3-Butanediol pharma grade is mainly used to prepare polyester resin, polyurethane resin, plasticizer, etc.
1,3-Butanediol pharma grade is an organic alcohol with antimicrobial activity against a wide variety of pathogens.
1,3-Butanediol pharma grade is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food.

1,3-Butanediol pharma grade is also used as humidifier and softener for textiles, paper and tobacco.
1,3-Butanediol pharma grade has a sweet flavor with bitter aftertaste and is odorless when pure.

1,3-Butanediol pharma grade occurs as a clear, colorless, viscous liquid with a sweet flavor and bitter aftertaste.
Butanediol compound having two hydroxy groups in the 1- and 3-positions.
1,3-Butanediol pharma grade is an organic chemical which belongs to the family of secondary alcohols.

Boiling point: 225.2±35.0 °C(Predicted)
Density: 1.245±0.06 g/cm3(Predicted)
pka: 12.60±0.20(Predicted)

At present, 1,3-Butanediol pharma grade is used mainly in surfactants, inks, solvents for natural and synthetic flavoring agents an.
1,3-Butanediol pharma grade has been investigated for potential medical applications.
1,3-Butanediol pharma grade is a chiral molecule, and different enantiomers may have different biological activities.

1,3-Butanediol pharma grade has solvent properties and can be used as a solvent in various applications.
1,3-Butanediol pharma grade is solubility in both water and organic solvents makes it versatile for certain chemical processes.
1,3-Butanediol pharma grade has been considered as a potential biofuel or as a component in biofuel production.

Research is ongoing to explore its suitability as an alternative fuel source.
The thermodynamics and phase behavior of 1,3-Butanediol pharma grade are of interest in various industrial processes, including its use as a solvent and in polymer production.
Understanding these properties is crucial for optimizing production and processing conditions.

As sustainability becomes a more significant concern, the biodegradability of chemicals is an important factor.
1,3-Butanediol pharma grade prevents the product from drying out and makes the formulations more resistant to moisture.
1,3-Butanediol pharma grade has antimicrobial properties.

1,3-Butanediol pharma grade keeps skin soft and helps one feel beautiful Butylene glycol is ecocert approved.
1,3-Butanediol pharma grade has a moisturizing effect on the skin.
1,3-Butanediol pharma grade may be readily dehydrated to form butadiene which is employed as a monomeric raw material in the preparation of synthetic rubber.

1,3-Butanediol pharma grade is a very important chemical compound and its ready and economical preparation from a material as cheap and readily obtainable as ethyl alcohol assumes great importance.
The principal object of the present invention is to provide an improved process for the production of 1,3-Butanediol pharma grade from ethyl alcohol.
Another object is to devise such a method involving electrochemical steps in an integrated relationship.

Another object is to provide such a process involving electrochemical steps wherein substantial savings in power are effected along with other improvements, since one of the principal objections to ordinary electrolytic organic reactions is the relatively large cost of power consumed in carrying out the electrolytic reaction.
Another object is to simultaneously carry out one step of the integrated process in the anode compartment of a divided electrolytic cell and another step in the cathode compartment of the same cell.
Numerous other objects and advantages of the present invention will be at once apparent to those skilled in the art in the light of this

Studies may assess the environmental impact and fate of 1,3-Butanediol pharma grade under different conditions.
In addition to being a precursor for certain polymers, 1,3-Butanediol pharma grade can serve as a crosslinking agent in polymer chemistry, contributing to the formation of three-dimensional networks in certain materials.
Due to its properties, 1,3-Butanediol pharma grade may find applications in the formulation of personal care products such as cosmetics and skincare items, where it can act as a humectant and solvent.

1,3-Butanediol pharma grade has been studied for its potential use as a cryoprotectant, helping to preserve biological samples at low temperatures, such as in the field of cryobiology.
1,3-Butanediol pharma grade is a viscosity decreasing component.
Like other humectants, 1,3-Butanediol pharma grade forms a barrier which prevents the drying out of cosmetics.

Furthermore, 1,3-Butanediol pharma grade prevents the assimilation of water from atmospheres of high humidity into film-forming preparations.
1,3-Butanediol pharma grade has a solubilising effect on natural and synthetic flavouring substances.
Among the most important characteristics of this ingredient are its ability to stabilise volatile compounds such as fragrances and flavours fixing them in cosmetic formulations and to retard the loss of aroma.

1,3-Butanediol pharma grade acts as a solvent.
1,3-Butanediol pharma grade is used as an alternative for propylene glycol.
1,3-Butanediol pharma grade inhibits the drying out of cosmetics and prevents the crystallization of insoluble components.

Aids in solubilizing aqueous insoluble ingredients and stabilizes volatile compounds such as fragrances and fixing them in the cosmetic formulation.
1,3-Butanediol pharma grade exists in different stereoisomeric forms.
The most common stereoisomer is the meso form, but it also has two chiral forms.

In pharmaceutical applications, the specific stereoisomeric form may be important depending on the desired properties of the final product.
1,3-Butanediol pharma grade can be incorporated into pharmaceutical formulations for oral, topical, or parenteral administration, depending on its solubility, stability, and other characteristics.
1,3-Butanediol pharma grade can be utilized in chiral synthesis, where the stereochemistry of the molecule is crucial for the desired biological activity of the pharmaceutical compound.

Due to its ability to retain moisture, 1,3-Butanediol pharma grade may be used as a hydration agent in pharmaceutical formulations to prevent drying and improve stability.
1,3-Butanediol pharma grade is employed in the synthesis of certain polymers, including polybutylene terephthalate (PBT).
1,3-Butanediol pharma grade can find applications in cosmetic and personal care products, such as moisturizers and skincare formulations.

Manufacturers producing 1,3-Butanediol pharma grade adhere to strict quality control measures to meet regulatory standards.
1,3-Butanediol pharma grade should comply with pharmacopeial monographs and other relevant guidelines.
1,3-Butanediol pharma grade is crucial to maintaining the integrity of pharmaceutical formulations over time.

Ongoing research may reveal new applications or modifications of 1,3-Butanediol pharma grade in pharmaceutical and related industries.
1,3-Butanediol pharma grade contributes to the preservation of products against spoiling, it has a very good distribution coefficient and thus leads to better efficacy of preservatives mixed into formulation.
1,3-Butanediol pharma grade is used in various cosmetics and personal care products.

1,3-Butanediol pharma grade Market forecasted to reach $178.5 million by 2024, according to the study, the global 1,3-Butanediol pharma grade market is likely to grow from $127.8 million in 2017 to $178.5 million by 2024.
Growing cosmetic products market and the growing demand of 1,3-Butanediol pharma grade in the pharmaceutical industry are the key factors driving the growth of the global market.
1,3-Butanediol pharma grade is used as raw material for polyester plasticizers and unsaturated polyester resins humectant in cosmetics.

1,3-Butanediol pharma grade is a viscosity decreasing component and prevents the dying out of cosmetics.
The best characteristic of 1,3-Butanediol pharma grade is its ability to stabilize volatile compounds such as fragrances and flavors fixing them in cosmetic formulations and to reduce the loss of aroma.
1,3-Butanediol pharma grade also helps in the preservation of cosmetics against spoilage by micro-organisms.

Firstly, 1,3-Butanediol pharma grade has a very good distribution coefficient, which leads to a better efficacy of preservatives mixed into formulation, thus making it possible to lower the dose of the applied preservative.
1,3-Butanediol pharma grade has an antimicrobial effect, which helps arrest the growth of microorganisms in products.
Compared with glycerol, sorbitol, and propylene glycol, 1,3-Butanediol pharma grade is the most efficient polyol as antimicrobial agent.

As per the findings of research, pharmaceutical grade occupied the larger share of the market, its usage in major industries, such as cosmetic, personal care, and food industries.
1,3-Butanediol pharma grade can be used as a catalyst in certain polymerization reactions, contributing to the formation of specific types of polymers with desirable properties.
Due to its slightly sweet taste and ability to dissolve a variety of substances, 1,3-Butanediol pharma grade finds use in the flavor and fragrance industry, where it may be employed as a carrier for flavors or fragrances.

1,3-Butanediol pharma grade is widely used in cosmetics, including low-irritant skin care products and topical medicaments, as an excellent and low-irritation humectant.
Fragrance; Humectant; Solvent; Skin conditioning; Viscosity Controlling, 1,3-Butanediol pharma grade is a polyols, very widely used in cosmetics.
Hydrophilic moisturizing ingredients often used in cleansing cream, but the real effect of Butylene Glycol it dissolve the dirt, avoid drying too quickly during remove stage.

1,3-Butanediol pharma grade is a small molecule moisturizing ingredients, which hold water in the stratum corneum, the effect of hygroscopic is not very clear.
The CIR concluded that 1,3-Butanediol pharma grade are safe for use in cosmetics and personal care products.
Solvent, food additive, and flavoring, and for plasticizers and polyurethanes.

A colorless liquid made by catalytic hydrogenation of aldol (3-hydroxy-n-butyradehyde).
1,3-Butanediol pharma grade's most important use is as an intermediate in the manufacture of polyester plasticizers.

1,3-Butanediol pharma grade is commonly used as a solvent for food flavoring agents and as a co-monomer in certain polyester resins.
1,3-Butanediol pharma grade is used for Growth hormone production, Muscle growth, Insomnia and other conditions.

Uses:
One of the major uses of 1,3-Butanediol pharma grade is as a precursor in the production of polymers.
1,3-Butanediol pharma grade has been explored as a potential component in deicer solutions for use in aviation and road maintenance.
1,3-Butanediol pharma grade is properties may contribute to the effectiveness of deicing agents.

While not a direct food ingredient, 1,3-Butanediol pharma grade's applications in the flavor and fragrance industry may indirectly impact the food sector through its use in the production of food-related aromas and essences.
1,3-Butanediol pharma grade is used as a multifunctional Emollient and Humectant.
1,3-Butanediol pharma grade is widely used in Skin-Care and Haircare Formulations and other Personal Care applications such as Cosmetic Face Masks.

1,3-Butanediol pharma grade is a strong reducing agent.
1,3-Butanediol pharma grade is often used in chemical processes where reduction reactions are required.
In the electroless plating industry, 1,3-Butanediol pharma grade is employed as a reducing agent for metal ions, particularly in the deposition of metals like nickel.

1,3-Butanediol pharma grade helps in the reduction of metal ions to form a metallic coating on substrates.
1,3-Butanediol pharma grade is used as a reducing agent in the dyeing and finishing of textiles.
1,3-Butanediol pharma grade aids in the removal of excess dye and enhances the color fastness of dyed fabrics.

1,3-Butanediol pharma grade is used in water treatment processes as a reducing agent to remove or neutralize certain contaminants.
1,3-Butanediol pharma grade finds applications in polymerization reactions, particularly in the production of certain polymers and resins.
Due to its reducing properties, 1,3-Butanediol pharma grade is utilized in various chemical synthesis processes where reduction reactions are required.

In the past, 1,3-Butanediol pharma grade was used in the photographic industry as a reducing agent in the development of photographic films.
1,3-Butanediol pharma grade is used in the production of printed circuit boards (PCBs) as a reducing agent for metal ions during electroless plating.
1,3-Butanediol pharma grade is used in analytical chemistry techniques for its reducing capabilities.

1,3-Butanediol pharma grade is used as an intermediate for the manufacture of polyester plasticisers and unsaturated polyester resins and polyurethane paints.
In heavy duty brake-fluid formulations, gelling agent for gelatin and similar proteins, humectant for cellophane, tobacco, unsaturated polyester resins and resins for polyurethane paints, Alkyd resin paints and wetting agent in inks.
As an intermediate for the manufacture of polyester plasticizers.

In the food and beverage industry, 1,3-Butanediol pharma grade is used as an additive and has antimicrobial properties and is also used as an additive in packaging of foods and beverages.
In some cases, 1,3-Butanediol pharma grade has been considered for use in hydraulic fluids due to its chemical properties and potential as a biodegradable alternative.
1,3-Butanediol pharma grade may be employed in certain anti-freeze formulations, contributing to the prevention of freezing in various applications.

1,3-Butanediol pharma grade's solubility and other properties make it suitable for use in metalworking fluids, where it can help in lubrication and cooling during machining processes.
1,3-Butanediol pharma grade's solvent properties make it useful in the formulation of certain detergents and cleaning products.
Ongoing research continues to explore potential medical applications of Butane-1,3-diol (1,3-Butanediol), including its role in drug delivery systems and therapeutic interventions.

Historically, 1,3-Butanediol pharma grade has been used in the production of certain photographic chemicals, although this application has diminished with changes in photographic technology.
1,3-Butanediol pharma grade's thermophysical properties make it of interest in thermal energy storage systems, where it could potentially be used as a heat transfer fluid.
1,3-Butanediol pharma grade is a key component in the synthesis of polybutylene terephthalate (PBT), a thermoplastic polyester used in the production of fibers, films, and engineering plastics.

1,3-Butanediol pharma grade serves as a chemical intermediate in the synthesis of various compounds.
1,3-Butanediol pharma grade can be used in the production of solvents, plasticizers, and other chemicals.
Due to its solubility in both water and organic solvents, 1,3-Butanediol pharma grade is employed as a solvent in certain chemical processes.

1,3-Butanediol pharma grade's slightly sweet taste and solvent properties make it useful in the flavor and fragrance industry, where it can be used as a carrier for flavors and fragrances.
1,3-Butanediol pharma grade can be used as a plasticizer, a substance added to polymers to improve flexibility and other mechanical properties.
1,3-Butanediol pharma grade may find applications in personal care products such as cosmetics and skincare items, where it can act as a humectant (moisture-retaining substance) and solvent.

Research has explored the potential use of 1,3-Butanediol pharma grade as a biofuel or as a component in biofuel production.
1,3-Butanediol pharma grade has been studied for its potential use as a cryoprotectant in preserving biological samples at low temperatures.
1,3-Butanediol pharma grade can be incorporated into the formulation of adhesives and sealants, contributing to their performance characteristics.

Due to its hygroscopic properties, 1,3-Butanediol pharma grade is sometimes used as a humectant in tobacco products to help maintain moisture.
Research has suggested that 1,3-Butanediol pharma grade may have antimicrobial properties, and it has been explored for its potential use in antimicrobial formulations, such as hand sanitizers.
1,3-Butanediol pharma grade can be used in the production of certain adhesives, where its properties contribute to the adhesive's performance and characteristics.

1,3-Butanediol pharma grade has been used in the formulation of some electronic cigarette liquids.
1,3-Butanediol pharma grade is inclusion in these products is due to its ability to produce vapor and its relatively low toxicity compared to other compounds.
As industries seek more sustainable alternatives, 1,3-Butanediol pharma grade may find applications in the production of various bio-based chemicals, contributing to a more environmentally friendly approach.

1,3-Butanediol pharma grade is solubility and chemical properties make 1,3-Butanediol pharma grade suitable for use in the formulation of inks and coatings.
In the textile industry, 1,3-Butanediol pharma grade may be used in processes involving the production of fibers and fabrics.
1,3-Butanediol pharma grade has been considered for use in anti-corrosion formulations, where it could help protect metals from corrosion.

Due to its ability to dissolve a variety of substances, 1,3-Butanediol pharma grade is used as a cosolvent in the pharmaceutical industry, assisting in the formulation of certain drugs.
1,3-Butanediol pharma grade is used in the production of certain adhesives where its reducing properties are beneficial.
In the food industry, 1,3-Butanediol pharma grade is sometimes used as a reducing agent or antioxidant in specific applications.

1,3-Butanediol pharma grade may find applications in medical fields, for example, in certain pharmaceutical processes where reduction reactions are required.
1,3-Butanediol pharma grade can be used in chemical analysis methods, such as titration, where its reducing capacity is exploited.
While digital technology has largely replaced traditional film photography, 1,3-Butanediol pharma grade was historically used in photographic developing solutions.

1,3-Butanediol pharma grade can be used in gas purification processes where reduction of impurities is necessary.
In certain waste treatment processes, 1,3-Butanediol pharma grade might be utilized to reduce or neutralize specific pollutants.
1,3-Butanediol pharma grade might be used in the production of lubricant additives to enhance performance.

In the production of certain plasticizers, 1,3-Butanediol pharma grade can be employed.
In the electronics industry, 1,3-Butanediol pharma grade is sometimes used in chemical etching processes.
1,3-Butanediol pharma grade may be used in processes involving the surface activation of materials.

In addition to hydraulic fluids, 1,3-Butanediol pharma grade may be considered for use in water-based hydraulic fluids, contributing to the lubrication and cooling of hydraulic systems.
1,3-Butanediol pharma grade can serve as a crosslinking agent in polymer chemistry, contributing to the formation of three-dimensional networks in certain materials.
Research has investigated potential medical applications, including its use in pharmaceutical synthesis and drug development.

1,3-Butanediol pharma grade is neuroprotective properties have also been explored.
1,3-Butanediol pharma grade has been explored as a component in seed coating formulations, potentially enhancing the efficiency of agricultural practices.
1,3-Butanediol pharma grade is used in the production of certain precursors for carbon fiber, a lightweight and high-strength material.

In battery technology, 1,3-Butanediol pharma grade has been studied as an additive to electrolytes, aiming to improve the performance and safety of certain types of batteries.
1,3-Butanediol pharma grade can be used as a catalyst in certain polymerization reactions.
Ongoing research may uncover new applications and uses for 1,3-Butanediol pharma grade, particularly as emerging technologies and scientific advancements open up novel possibilities for its utilization.

Safety Profile:
Inhalation of vapors or mists may cause respiratory irritation.
1,3-Butanediol pharma grade's important to work in well-ventilated areas or use appropriate respiratory protection when necessary.
Prolonged or repeated skin contact may cause irritation.

Contact with the skin should be minimized, and protective equipment, such as gloves, should be used.
Direct contact with the eyes may cause irritation.

Safety goggles or a face shield should be worn when there is a risk of splashing.
Ingesting 1,3-Butanediol pharma grade can be harmful.
1,3-DIMETHYLUREA
1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.
1,3-Dimethylurea is a colorless solid.


CAS Number: 96-31-1
EC Number: 202-498-7
MDL number: MFCD00008286
Linear Formula: (CH3NH)2CO
Chemical formula: C3H8N2O



SYNONYMS:
1,3-Dimethylurea Factory, N,N'-Dimethylurea Factory, 1,3-Dimethylurea COA TDS MSDS, n,n’-dimethylharnstoff , n,n’-dimethyl-ure , N,N'-Dimethylharnstoff, Symmetric dimethylurea, symmetricdimethylurea, 1,3-Dimethylurea, sym-dimethylurea, N,N-Dimethylurea, n,n'-dimethyl-ure, N,N'-dimethylurea, Dimethyl Urea 1,3, symmetricdimethylurea, symmetric dimethylurea, n,n'-dimethylharnstoff, Symmetric dimethylurea, N,N'-Dimethylharnstoff, N,N-dimethylurea (sym.), 1,3-Dimethylurea Factory, N,N'-Dimethylurea Factory, 1,3-Dimethylurea COA TDS MSDS, 1,3-DIMETHYLUREA, N,N'-Dimethylurea, 96-31-1, sym-Dimethylurea, Urea, N,N'-dimethyl-, Symmetric dimethylurea, Urea, 1,3-dimethyl-, 1,3-Dimethyl urea, N,N'-Dimethylharnstoff, dimethyl urea, NSC 14910, BRN 1740672, AI3-24386, MFCD00008286, WAM6DR9I4X, DTXSID5025156, CHEBI:80472, Urea,3-dimethyl-, Urea,N'-dimethyl-, NSC-14910, 1,3-Dimethylurea, 98%, WLN: 1MVM1, CCRIS 2509, HSDB 3423, EINECS 202-498-7, UNII-WAM6DR9I4X, Dimethylharnstoff, 1.3-Dimethylurea, N,N-Dimethyl-Urea, 1,3 dimethyl urea, N,N'-dimethyl urea, N,N'-dimethylurea, 1,1'-Dimethylurea, 1,3-Dimethylcarbamide, 3k3g, bmse000248, EC 202-498-7, UREA,1,3-DIMETHYL, (CH3NH)2CO, DIMETHYL UREA [INCI], DIMETHYLUREA, N,N'-, N,N'-Dimethylurea, ~98%, DTXCID605156, CHEMBL1234380, 1,3-DIMETHYLUREA [HSDB], NSC14910, NSC24823, Tox21_200794, 1,3-Dimethylurea;N,N'-Dimethylurea, BBL011513, NSC-24823, STL146629, AKOS000120912, CS-W013749, PB47928, CAS-96-31-1, NCGC00248834-01, NCGC00258348-01, SY004507, DB-225923, N,N inverted exclamation mark-Dimethylurea, N,N inverted exclamation marka-Dimethylurea, A4569, D0289, NS00005754, EN300-20740, P17517, ethyl 5-oxo-2,3-diphenyl-cyclopentanecarboxylate, A845576, N,N'-Dimethylurea, (sym.), >=99% (from N), Q419740, W-100145, N,N'-Dimethylurea, PESTANAL(R), analytical standard, F0001-2292, N,N'-Dimethylurea, (sym.), >=95.0% (HPLC), technical, InChI=1/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6, DMU, 1,3-Dimethylurea, N,N′-Dimethylurea, Urea,N,N’-dimethyl,UNII-, AM6DR9I4X, MeNHNCONHMe, sym-Dimethylurea,N,N`-Dimethylurea, Expand DMU, N,N'-Dimethylharnstoff [German], N,N'-Dimethylurea, Symmetric dimethylurea, sym-Dimethylurea, Urea, 1,3-dimethyl-, Urea, N,N'-dimethyl-, N,N′-Dimethylurea, DMU, 1,3-Dimethylurea, 1,3-DIMETHYLUREA, N,N'-Dimethylurea, 96-31-1, sym-Dimethylurea, Urea, N,N'-dimethyl-, Symmetric dimethylurea, Urea, 1,3-dimethyl-, N,N'-Dimethylharnstoff, 1,3-Dimethyl urea, NSC 14910, BRN 1740672, AI3-24386, MFCD00008286, WAM6DR9I4X, DMU, DTXSID5025156, CHEBI:80472, Urea,3-dimethyl-, Urea,N'-dimethyl-, NSC-14910, 1,3-Dimethylurea, 98%, WLN: 1MVM1, CCRIS 2509, HSDB 3423, EINECS 202-498-7, UNII-WAM6DR9I4X, Dimethylharnstoff, 1.3-Dimethylurea, N,N-Dimethyl-Urea, 1,3 dimethyl urea, N,N'-dimethyl urea, 1,1'-Dimethylurea, 1,3-Dimethylcarbamide, bmse000248, EC 202-498-7, UREA,1,3-DIMETHYL, (CH3NH)2CO, DIMETHYL UREA [INCI], DIMETHYLUREA, N,N'-, N,N'-Dimethylurea, ~98%, DTXCID605156, CHEMBL1234380, 1,3-DIMETHYLUREA [HSDB], NSC14910, NSC24823, Tox21_200794, 1,3-Dimethylurea;N,N'-Dimethylurea, NSC-24823, AKOS000120912, CS-W013749, PB47928, CAS-96-31-1, NCGC00248834-01, NCGC00258348-01, SY004507, N,N inverted exclamation mark -Dimethylurea, A4569, D0289, FT-0606700, EN300-20740, P17517, ethyl 5-oxo-2,3-diphenyl cyclopentanecarboxylate, A845576, N,N'-Dimethylurea, (sym.), >=99% (from N), Q419740, W-100145, N,N'-Dimethylurea, PESTANAL(R), analytical standard, F0001-2292, N,N'-Dimethylurea, (sym.), >=95.0% (HPLC), technical, InChI=1/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6), Urea, 1,3-dimethyl-, sym-Dimethylurea, N,N'-Dimethylurea, Symmetric dimethylurea, 1,3-Dimethylurea, (CH3NH)2CO, 1,1'-Dimethylurea, DMU, N,N' Dimethylharnstoff, NSC 14910, (CH3NH)2CO, 1,1'-Dimethylurea, 1,3-dimethylurea, DMU, N,N'-Dimethylharnstoff, N,N'-dimethylurea, NSC 14910, Symmetric dimethylurea, sym-Dimethylurea, urea, 1,3-dimethyl-, syM,N,N'-DIMETHYLUREA, (CH3NH)2CO, AKOS B029718, 1.3-DiMethyl u, 1,3-dimethyl-ure, SYM-DIMETHYLUREA, 1,3-DIMETHYLUREA, n,n’-dimethyl-ure,Dimethylcarbamide, N,N'-Dimethyl urea, 1,3-Dimethylurea, N,N’-dimethyl-Urea, 1,3-dimethyl-ure, n,n’-dimethylharnstoff, n,n’-dimethylharnstoff (german), n,n’-dimethylurea, sym-dimethylurea, Urea, 1,3-dimethyl-, sym-Dimethylurea, N,N'-Dimethylurea, Symmetric dimethylurea, 1,3-Dimethylurea, (CH3NH)2CO, 1,1'-Dimethylurea, DMU, N,N'-Dimethylharnstoff, NSC 14910, Urea, N,N′-dimethyl-, Urea, 1,3-dimethyl-, N,N′-Dimethylurea, 1,3-Dimethylurea, Symmetric dimethylurea, sym-Dimethylurea, NSC 14910, NSC 24823, Urea,1,3-dimethyl- (8CI), N,N'-Dimethylurea, NSC 14910, NSC 24823, Symmetric dimethylurea, sym-Dimethylurea, Urea,N,N’-dimethyl, UNII-WAM6DR9I4X, MeNHNCONHMe, sym-Dimethylurea, N,N`-Dimethylurea, syM, N,N'-DIMETHYLUREA, (CH3NH)2CO, AKOS B029718, 1.3-DiMethyl u, 1,3-dimethyl-ure, SYM-DIMETHYLUREA, 1,3-DIMETHYLUREA, n,n’-dimethyl-ure, Dimethylcarbamide, n,n’-dimethylurea, sym-dimethylurea, urea, n,n’-dimethyl, dimethylurea, symmetric dimethylurea, urea, 1,3-dimethyl, n,n’-dimethylharnstoff, 1,3-dimethyl urea, n,n’-dimethylharnstoff german, unii-wam6dr9i4x



1,3-Dimethylurea is a urea derivative used as an intermediate in organic synthesis.
1,3-Dimethylurea appears as colorless crystals and is a member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3 .
1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.


1,3-Dimethylurea is a solid in the form of white crystals with a faint ammonia-like odor.
1,3-Dimethylurea is soluble in water.
1,3-Dimethylurea is a colorless powder.


1,3-Dimethylurea is a colorless crystalline powder with little toxicity.
1,3-Dimethylurea is a white crystals.
1,3-Dimethylurea is a member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3.


1,3-Dimethylurea is a colorless crystals.
1,3-Dimethylurea is water soluble.
1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.


1,3-Dimethylurea is a colorless crystalline powder with little toxicity.
1,3-Dimethylurea is a member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3.
1,3-Dimethylurea is a colorless, volatile liquid with a penetrating odor.


1,3-Dimethylurea is soluble in water and alcohols and has a melting point of -3°C.
1,3-Dimethylurea is a solid in the form of white crystals with a faint ammonia-like odor.
1,3-Dimethylurea is soluble in water.


1,3-Dimethylurea acts as a radical scavenger that protects isolated pancreatic islets from the effects of alloxan and dihydroxyfumarate exposure.
Methyl amine and 1,3-Dimethylurea are hydrolysis products of methyl isocyanate.
1,3-Dimethylurea is a colorless crystalline powder with little toxicity.


1,3-Dimethylurea appears as colorless crystals.
1,3-Dimethylurea is a member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3.
1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.


1,3-Dimethylurea is a colorless crystalline powder with little toxicity.
1,3-Dimethylurea is registered under the REACH Regulation and is manufactured in and / or imported to the European Economic Area, at ≥ 1 to < 10 tonnes per annum.


1,3-Dimethylurea is a colorless crystalline powder with little toxicity.
1,3-Dimethylurea is a colorless solid.
1,3-Dimethylurea is an organic compound that has been shown to bind to the carbonyl group of proteins and act as a hydrogen-bond donor.


The nitrogen atoms are coordinated to form two pyramidal structures with the hydrogen bonding between the nitrogen atoms.
This coordination geometry leads to a molecule that is planar and the frequency shift of IR spectroscopy data confirms this structure.
The reaction mechanism for dimethyl urea begins with an attack by the oxygen atom on the carbon atom of tetramethylurea forming an intermediate called trimethylamine, which then reacts with trifluoroacetic acid (TFA) leading to the formation of dimethyl urea.



USES and APPLICATIONS of 1,3-DIMETHYLUREA:
1,3-Dimethylurea is used for synthesis of caffeine, pharmachemicals, textile aids, herbicides and other.
In the textile processing industry 1,3-dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.
1,3-Dimethylurea is a colorless crystalline powder with little toxicity.


1,3-Dimethylurea is also used for synthesis of caffeine, pharmachemicals, textile aids, herbicides and other.
In the textile processing industry 1,3-Dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.
1,3-Dimethylurea is used in the following products: pH regulators and water treatment products and laboratory chemicals.


1,3-Dimethylurea is used in the following areas: health services and scientific research and development.
1,3-Dimethylurea is used for the manufacture of: chemicals.
1, 3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.


1,3-Dimethylurea is a colorless crystalline powder with little toxicity.
In medicine, 1,3-Dimethylurea is used to synthesize theophylline, caffeine and nifedipine hydrochloride, etc.
1,3-Dimethylurea is used by professional workers (widespread uses), in formulation or re-packing and at industrial sites.


1,3-Dimethylurea is used in the following products: pH regulators and water treatment products and laboratory chemicals.
1,3-Dimethylurea is used in the following areas: health services and scientific research and development.
Use in cosmetics of 1,3-Dimethylurea has been proposed, but there is no information available as to its actual use in such applications.


1,3-Dimethylurea is used for synthesis of caffeine, theophylline, pharmachemicals, textile aids, herbicides and others.
1,3-Dimethylurea is used in the textile processing industry.
1,3-Dimethylurea is also used for synthesis of caffeine, pharmachemicals, textile aids, herbicides and other.


1,3-Dimethylurea is used as an intermediate in organic synthesis. Ungraded products supplied by Spectrum are indicative of a grade suitable for general industrial use or research purposes and typically are not suitable for human consumption or therapeutic use.
1,3-Dimethylurea is used as an intermediate in the synthesis of theophylline and caffeine, and also used in the production of fiber treatment agents


1,3-Dimethylurea is used in manufacturing synthetic caffeine, resins and drugs.
1,3-Dimethylurea is used as a catalyst for condensation of methylamine with urea.
1,3-Dimethylurea is used as a pharmaceutical drug to treat hyperammonemia.


1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.
1,3-Dimethylurea is used in pharmaceutical manufacturing.
1,3-Dimethylurea is used as an intermediate to make caffeine, pharmachemicals, textile aids, herbicides, paints, and cleaning products.


1,3-Dimethylurea is used as textile auxiliaries to produce formaldehyde-free anti-wrinkle finishing products.
1,3-Dimethylurea is used in cosmetics as an emollient.
1,3-Dimethylurea is used in medicine and can produce a variety of raw materials.


1,3-Dimethylurea is used in chemical industry, it can synthesize a variety of chemical products.
1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.
1,3-Dimethylurea is used for synthesis of caffeine, theophylline, pharmachemicals, textile aids, herbicides and others.


1,3-Dimethylurea is used in the textile processing industry.
Pharmaceutical intermediates, 1,3-Dimethylurea is also used in the production of fiber treatment agents.
In the textile processing industry 1,3-dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.


1,3-Dimethylurea is used for synthesis of caffeine, pharmachemicals, textile aids, herbicides and other.
In the textile processing industry 1,3-Dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.


1,3-Dimethylurea is used for synthesis of caffeine, theophylline, pharmachemicals, textile aids, herbicides and others.
In the textile processing industry 1,3-Dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.
The estimated world production of 1,3-Dimethylurea is estimated to be less than 25,000 tons.


Other release to the environment of 1,3-Dimethylurea is likely to occur from: indoor use (e.g. machine wash liquids/detergents, automotive care products, paints and coating or adhesives, fragrances and air fresheners).
Release to the environment of 1,3-Dimethylurea can occur from industrial use: formulation of mixtures.


Release to the environment of 1,3-Dimethylurea can occur from industrial use: as an intermediate step in further manufacturing of another substance (use of intermediates), in processing aids at industrial sites and as processing aid.
1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.


In the Swiss Product Register there are 38 products containing 1,3-Dimethylurea, among them 17 products intended for consumer use.
Product types of 1,3-Dimethylurea are e.g. paints and cleaning agents.
The content of 1,3-Dimethylurea in consumer products is up to 10 %.


-1,3-Dimethylurea can be used as a starting material to synthesize N,N′-dimethyl-6-amino uracil.
In combination with β-cyclodextrin derivatives, to form low melting mixtures (LMMs), which can be used as solvents for hydroformylation and Tsuji-Trost reactions.
To synthesize N,N′-disubstituted-4-aryl-3,4-dihydropyrimidinones via Biginelli condensation under solvent-free conditions.



CHEMICAL REACTIONS ANALYSIS OF 1,3-DIMETHYLUREA:
The reaction of 1,3-Dimethylurea with formaldehyde has been studied in detail using quantitative on-line NMR spectroscopy .
The system undergoes only four reactions and, unlike urea–formaldehyde, does not form polymers .



PHYSICAL AND CHEMICAL PROPERTIES ANALYSIS OF 1,3-DIMETHYLUREA:
1,3-Dimethylurea is a colorless crystalline powder with little toxicity .
The effects of concentration variation of 1,3-DMU in distilled water on dielectric and electrical properties have been discussed to gain information about the self-aggregative nature of 1,3-Dimethylurea and dissociation process in aqueous solutions



PHYSICAL AND CHEMICAL PROPERTIES OF 1,3-DIMETHYLUREA:
Character: gray-white, thin, thin, crystalline.
melting point 101~104 ℃
boiling point 268~270 ℃
relative density 1.142
solubility in water, ethanol, acetone, benzene and ethyl acetate, insoluble in ether and gasoline.



SYNTHESIS ANALYSIS OF 1,3-DIMETHYLUREA:
A practically simple, mild, and efficient method has been developed for the synthesis of N-substituted ureas by nucleophilic addition of amines to potassium isocyanate in water without an organic co-solvent .



PRODUCTION METHOD OF 1,3-DIMETHYLUREA:
Industry uses molten urea and monomethyl amine action to make. First, the area into the melting tank, heated to 130-135C to melt 1,3-Dimethylurea, transferred to the reaction tower has been heated to 110-120C, continue to raise the temperature to 150-175 ℃, began to pass the purified monomethyl amine gas, until the monomethyl amine all through, that is, the reaction is completed, the creation of even dimethyl urea finished products.



REACTIVITY PROFILE OF 1,3-DIMETHYLUREA:
1,3-Dimethylurea is an amide.
Amides are very weak bases (weaker than water).
Imides are less basic yet and in fact react with strong bases to form salts.
That is, they can react as acids.
Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile.
The combustion of these compounds generates mixed oxides of nitrogen (NOx).



PURIFICATION METHODS OF 1,3-DIMETHYLUREA:
Crystallise the urea from acetone/diethyl ether by cooling in an ice bath.
Also crystallise 1,3-Dimethylurea from EtOH and dry it at 50o/5mm for 24hours



FEATURES OF 1,3-DIMETHYLUREA:
*Good stability
1,3-Dimethylurea has good stability and are suitable for various synthetic chemical reactions, ensuring the stability and reliability of our customers' production processes.



MOLECULAR STRUCTURE ANALYSIS OF 1,3-DIMETHYLUREA:
1,3-Dimethylurea forms needle-shaped crystals .
The Raman spectra of DMU crystal have been measured, and the density function theory with a B3LYP/6-311G* * basis set has been used to optimize the geometry structure and calculate the vibrational frequency of gas phase DMU .



PHYSICAL and CHEMICAL PROPERTIES of 1,3-DIMETHYLUREA:
Formula: C₃H₈N₂O
MW: 88.11 g/mol
Boiling Pt: 268 °C (1013 hPa)
Melting Pt: 96 °C
Density: 1.142 g/cm³ (20 °C)
Storage Temperature: Ambient
MDL Number: MFCD00008286
CAS Number: 96-31-1
EINECS: 202-498-7
SYNONYMS: N,N′-Dimethylurea
CAS NUMBER: 96-31-1
MOLECULAR FORMULA:C3H8N2O
MOLECULAR WEIGHT: 88.11

BEILSTEIN REGISTRY NUMBER: 1740672
EC NUMBER: 202-498-7
MDL NUMBER: MFCD00008286
Melting point :101-104 °C(lit.)
Boiling point :268-270 °C(lit.)
Density :1.142
vapor pressure :6 hPa (115 °C)
refractive index :1.4715 (estimate)
Flash point :157 °C
storage temp. :Store below +30°C.
solubility :H2O: 0.1 g/mL, clear, colorless
pka :14.57±0.46(Predicted)
form :Crystals

color :White
PH :9.0-9.5 (100g/l, H2O, 20℃)
Water Solubility :765 g/L (21.5 ºC)
BRN :1740672
InChIKey :MGJKQDOBUOMPEZ-UHFFFAOYSA-N
LogP :-0.783 at 25℃
CAS DataBase Reference :96-31-1(CAS DataBase Reference)
NIST Chemistry Reference :Urea, N,N'-dimethyl-(96-31-1)
EPA Substance Registry System :1,3-Dimethylurea (96-31-1)
Auto Ignition: 400 °C (DIN 51794) (Lit.)
Beilstein Registry Number: 1740672
Boiling Point: 262 °C (Lit.)
CAS #: 96-31-1
Density: 1.14 g/cm³ at 20 °C (Lit.)
EC Number: 202-498-7

Flash Point: > 157 °C (Lit.)
Melting Point: 100 - 110 °C
Molecular Formula: C3H8N2O
Molecular Weight: 88.11
Pack Size: 100 g
Personal Protective Equipment: Eyeshields, Gloves, Respirator filter
pH: 9.0 - 9.5 (100 g/L, H2O, 20 °C)(Lit.)
Purity: ≥98%
RTECS Number: YS9868000
Solubility: Soluble in ethanol (200 mg in 4 mL).
Physical State: Solid
Storage: Store at room temperature
Boiling Point: ~384.0 °C at 760 mmHg (Predicted)
Density: ~1.2 g/cm³ (Predicted)
Refractive Index: n20D 1.63 (Predicted)

Chemical formula: C3H8N2O
Molar mass: 88.110 g•mol−1
Appearance: Colorless, waxy crystals
Odor: Odorless
Density: 1.142 g mL−1
Melting point: 104.4 °C; 219.8 °F; 377.5 K
Boiling point: 269.1 °C; 516.3 °F; 542.2 K
Solubility in water: 765 g L−1
Magnetic susceptibility (χ): -55.1•10−6 cm3/mol
Thermochemistry:
Std enthalpy of formation (ΔfH⦵298): −312.1–−312.1 kJ mol−1
Std enthalpy of combustion (ΔcH⦵298): −2.0145–−2.0089 MJ mol−1

Additional Properties:
Molecular Weight: 88.11 g/mol
XLogP3: -0.5
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 0
Exact Mass: 88.063662883 g/mol
Monoisotopic Mass: 88.063662883 g/mol
Topological Polar Surface Area: 41.1Ų
Heavy Atom Count: 6
Formal Charge: 0
Complexity: 46.8

Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Appearance: Colorless crystals (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 108.00 °C. @ 760.00 mm Hg
Boiling Point: 269.00 °C. @ 760.00 mm Hg

Vapor Pressure: 0.547000 mmHg (est)
Flash Point: 116.00 °F. TCC (46.60 °C.) (est)
logP (o/w): -0.490
Soluble in water: 1.615e+004 mg/L @ 25 °C (est)
Chemical formula: C3H8N2O
Molar mass: 88.110 g•mol−1
Appearance: Colorless, waxy crystals
Odor: Odorless
Density: 1.142 g mL−1
Melting point: 104.4 °C; 219.8 °F; 377.5 K
Boiling point: 269.1 °C; 516.3 °F; 542.2 K

Solubility in water: 765 g L−1
Magnetic susceptibility (χ): -55.1•10−6 cm3/mol
Thermochemistry:
Std enthalpy of formation (ΔfH⦵298): −312.1–−312.1 kJ mol−1
Std enthalpy of combustion (ΔcH⦵298): −2.0145–−2.0089 MJ mol−1
Molecular Weight: 88.11 g/mol
XLogP3: -0.5
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 0
Exact Mass: 88.063662883 g/mol
Monoisotopic Mass: 88.063662883 g/mol

Topological Polar Surface Area: 41.1Ų
Heavy Atom Count: 6
Formal Charge: 0
Complexity: 46.8
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Physical state: flakes
Color: colorless
Odor: amine-like
Melting point/freezing point:
Melting point/range: 103 - 106 °C
Initial boiling point and boiling range: 268 - 270 °C - lit.
Flammability (solid, gas): No data available
Upper/lower flammability or explosive limits: No data available
Flash point: 157 °C - closed cup
Autoignition temperature: No data available
Decomposition temperature: No data available
pH: 9,0 - 9,5

Viscosity
Viscosity, kinematic: No data available
Viscosity, dynamic: No data available
Water solubility: 765 g/l at 21,5 °C - soluble
Partition coefficient:
n-octanol/water: log Pow: -0,783
Vapor pressure: No data available
Density: 1,14 g/cm3 at 20 °C
Relative density: No data available
Relative vapor density: No data available
Particle characteristics: No data available

Explosive properties: No data available
Oxidizing properties: No data available
Other safety information:
Bulk density 0,50 g/l
Molecular Formula: CH3NHCONHCH3
CAS No: 96-31-1
EINECS: 202-498-7
Molecular Weight: 88.11
Appearance: White Crystals
Assay: ≥ 95%
Freezing point: 103'C Min
Volatile Content: ≤ 0.2%
Melting point: 104'C
CAS number: 96-31-1
EC number: 202-498-7
Hill Formula: C₃H₈N₂O

Chemical formula: CH₃NHCONHCH₃
Molar Mass: 88.11 g/mol
HS Code: 2924 19 00
Boiling point: 268 - 270 °C (1013 hPa)
Density: 1.14 g/cm3 (20 °C)
Flash point: 157 °C DIN 51758
Ignition temperature: 400 °C
Melting Point: 101 - 104 °C
pH value: 9.0 - 9.5 (H₂O)
Vapor pressure: Bulk density: 500 kg/m3
Solubility: 765 g/l

Chemical Name: N,N’-dimethylurea
CAS No.: 96-31-1
Molecular Formula: C3H8N2O
Molecular Weight: 88.10840
PSA: 41.13000
LogP: 0.32700
Appearance & Physical State: white flake
Density: 1.142
Boiling Point: 268-270ºC
Melting Point: 101-105ºC
Flash Point: 157ºC
Refractive Index: 1.413
Water Solubility: 765 g/L (21.5 ºC)

Stability: Stable under normal temperatures and pressures.
Storage Condition: Store at RT.
Melting point: 101-104 °C(lit.)
Boiling point: 268-270 °C(lit.)
Density: 1.142
vapor pressure: 6 hPa (115 °C)
refractive index: 1.4715 (estimate)
Flash point: 157 °C
storage temp.: Store below +30°C.
solubility: H2O: 0.1 g/mL, clear, colorless

pka: 14.57±0.46(Predicted)
form: Crystals
color: White
PH: 9.0-9.5 (100g/l, H2O, 20℃)
Water Solubility: 765 g/L (21.5 ºC)
BRN: 1740672
InChIKey: MGJKQDOBUOMPEZ-UHFFFAOYSA-N
LogP: -0.783 at 25℃
CAS DataBase Reference: 96-31-1(CAS DataBase Reference)
FDA UNII: WAM6DR9I4X
NIST Chemistry Reference: Urea, N,N'-dimethyl-(96-31-1)
EPA Substance Registry System: 1,3-Dimethylurea (96-31-1)

CAS No.: 96-31-1
Molecular Formula: C3H8N2O
InChIKeys: InChIKey=MGJKQDOBUOMPEZ-UHFFFAOYSA-N
Molecular Weight: 88.11
Exact Mass: 88.11
EC Number: 202-498-7
UNII: WAM6DR9I4X
ICSC Number: 1745
NSC Number: 24823|14910
DSSTox ID: DTXSID5025156
Color/Form: RHOMBIC BIPYRAMIDAL CRYSTALS FROM CHLOROFORM-ETHER|COLORLESS PRISMS
HScode: 2924199090

PSA: 41.1
XLogP3: -0.5
Appearance: N,n'-dimethylurea appears as colorless crystals. (NTP, 1992)
Density: 1.142 g/cm3
Melting Point: 108 °C
Boiling Point: 268-270 °C
Flash Point: 154°C
Refractive Index: 1.414
Water Solubility: H2O: 765 g/L (21.5 ºC)
Vapor Pressure: Vapour pressure, Pa at 20°C: 0.042
Air and Water Reactions: Water soluble.
Reactive Group: Amides and Imides

Autoignition Temperature: 400 °C
Molecular Formula / Molecular Weight: C3H8N2O = 88.11
Physical State (20 deg.C): Solid
CAS RN: 96-31-1
Reaxys Registry Number: 1740672
PubChem Substance ID: 87566985
SDBS (AIST Spectral DB): 2161
MDL Number: MFCD00008286
Appearance: colorless crystals (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 108.00 °C. @ 760.00 mm Hg
Boiling Point: 269.00 °C. @ 760.00 mm Hg

Vapor Pressure: 0.547000 mmHg (est)
Flash Point: 116.00 °F. TCC ( 46.60 °C. ) (est)
logP (o/w): -0.490
Soluble in: water, 1.615e+004 mg/L @ 25 °C (est)
Synonyms: N,N'-Dimethylurea
Molecular Formula: C3H8N2O
Molecular Weight: 88.11
CAS Number: 96-31-1
EINECS: 202-498-7
Appearance: White powder
Density: 1.142
Melting Point: 101-105 ºC
Stability: Stable under ordinary conditions.
Appearance: White powder
PH value: 6.5-8.0

Assay: ≥97.5%
Water: ≤0.5
Density: 0.9±0.1 g/cm3
Boiling Point: 269.0±0.0 °C at 760 mmHg
Melting Point: 101-104 °C(lit.)
Molecular Formula: C3H8N2O
Molecular Weight: 88.108
Flash Point: 124.3±18.9 °C
Exact Mass: 88.063660
PSA: 41.13000
LogP: -1.01
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Index of Refraction: 1.414
Storage condition: Store at RT.
Water Solubility: 765 g/L (21.5 ºC)
Synonyms: 1,3-dimethylurea
Molecular Weight: 88.11
Molecular Formula: C3H8N2O

Canonical SMILES: CNC(=O)NC
InChI: InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChIKey: MGJKQDOBUOMPEZ-UHFFFAOYSA-N
Boiling Point: 268-270 ℃
Melting Point: 101-105 ℃
Flash Point: 157ºC
Purity: > 98.0 % (GC)
Density: 1.142 g/cm3
Appearance: Colorless crystals.
Storage: Store at RT.
HS Code: 29241900
Log P: 0.32700
MDL: MFCD00008286
PSA: 41.13
Refractive Index: 1.413

Risk Statements: R62
RTECS: YS9868000
Safety Statements: S24/25
Stability: Stable under normal temperatures and pressures.
SYNONYMS: N,N′-Dimethylurea
CAS NUMBER: 96-31-1
MOLECULAR WEIGHT: 88.11
BEILSTEIN REGISTRY NUMBER: 1740672
EC NUMBER: 202-498-7
MDL NUMBER: MFCD00008286
Auto Ignition: 400 °C (DIN 51794) (Lit.)
Base Catalog Number: 15784780
Beilstein Registry Number: 1740672
Boiling Point: 262 °C (Lit.)

CAS #: 96-31-1
Density: 1.14 g/cm3 at 20 °C (Lit.)
EC Number: 202-498-7
Flash Point: > 157 °C (Lit.)
Melting Point: 100 - 110 °C
Molecular Formula: C3H8N2O
Molecular Weight: 88.11
pH: 9.0 - 9.5 (100 g/L, H2O, 20 °C) (Lit.)
Purity: ≥98%
RTECS Number: YS9868000
Solubility: Soluble in ethanol (200 mg in 4 mL).
Melting Point: 105°C
Boiling Point: 270°C

Color: White
Formula Weight: 88.11
Physical Form: Crystal-Powder at 20°C
Chemical Name or Material: 1,3-Dimethylurea
CAS: 96-31-1
EINECS: 202-498-7
InChI: InChI=1/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChIKey: MGJKQDOBUOMPEZ-UHFFFAOYSA-N
Molecular Formula: C3H8N2O
Molar Mass: 88.11
Density: 1.142
Melting Point: 101-104°C (lit.)

Boiling Point: 268-270°C (lit.)
Flash Point: 157 °C
Water Solubility: 765 g/L (21.5 ºC)
Solubility: Soluble in water, ethanol, acetone, benzene, and ethyl acetate, etc.,
insoluble in ether and gasoline.
Vapor Pressure: 6 hPa (115 °C)
Appearance: Crystallization
Color: White
BRN: 1740672
pKa: 14.57±0.46 (Predicted)
pH: 9.0-9.5 (100g/l, H2O, 20℃)
Storage Condition: Store below +30°C.
Refractive Index: 1.4715 (estimate)
MDL: MFCD00008286



FIRST AID MEASURES of 1,3-DIMETHYLUREA:
-Description of first-aid measures:
*General advice:
Consult a physician.
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
If breathed in, move person into fresh air.
Consult a physician.
*In case of skin contact:
Wash off with soap and plenty of water.
Consult a physician.
*In case of eye contact:
Flush eyes with water as a precaution.
*If swallowed:
Never give anything by mouth to an unconscious person.
Rinse mouth with water.
Consult a physician.
-Indication of any immediate medical attention and special treatment needed:
No data available



ACCIDENTAL RELEASE MEASURES of 1,3-DIMETHYLUREA:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Pick up and arrange disposal without creating dust.
Sweep up and shovel.
Keep in suitable, closed containers for disposal.



FIRE FIGHTING MEASURES of 1,3-DIMETHYLUREA:
-Extinguishing media:
*Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
-Further information:
No data available



EXPOSURE CONTROLS/PERSONAL PROTECTION of 1,3-DIMETHYLUREA:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
*Skin protection:
Handle with gloves.
Wash and dry hands.
Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Splash contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
*Body Protection:
Choose body protection
*Respiratory protection:
Respiratory protection is not required.
-Control of environmental exposure:
Do not let product enter drains.



HANDLING and STORAGE of 1,3-DIMETHYLUREA:
-Precautions for safe handling:
*Hygiene measures:
Handle in accordance with good industrial hygiene and safety practice.
Wash hands before breaks and at the end of workday.
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Store in cool place.
Keep container tightly closed in a dry and well-ventilated place.
*Storage class:
Storage class (TRGS 510): 13:
Non Combustible Solids



STABILITY and REACTIVITY of 1,3-DIMETHYLUREA:
-Reactivity:
No data available
-Chemical stability:
Stable under recommended storage conditions.
-Possibility of hazardous reactions:
No data available
-Conditions to avoid:
No data available


1,4 BUTANEDIOL
1,4 Butanediol is an organic compound belonging to the divalent alcohols.
1,4 Butanediol is also a building block for the synthesis of polyesterpolyols and polyetherpolyols.
1,4 Butanediol is safe only in small amounts.

CAS Number: 110-63-4
Molecular Formula: C4H10O2
Molecular Weight: 90.12
EINECS Number: 203-786-5

Synonyms: 1,4-BUTANEDIOL, 1,4 Butanediol, 110-63-4, Tetramethylene glycol, 1,4-Butylene glycol, 1,4-Dihydroxybutane, 1,4-Tetramethylene glycol, Tetramethylene 1,4-diol, Sucol B, DIOL 14B, 1,4-BD, Agrisynth B1D, HO(CH2)4OH, CCRIS 5984, NSC 406696, HSDB 1112, HOCH2CH2CH2CH2OH, UNII-7XOO2LE6G3, EINECS 203-786-5, 7XOO2LE6G3, BRN 1633445, 1,4 butylene glycol, DTXSID2024666, CHEBI:41189, AI3-07553, NSC-406696, DTXCID804666, EC 203-786-5, 4-01-00-02515 (Beilstein Handbook Reference), BDO, Dabco DBO, BU1, CAS-110-63-4, MFCD00002968, Dihydroxybutane, 4-hydroxybutanol, 1,4butanediol, 1.4-butanediol, Dabco BDO, 1,4-butandiol, 1,4-butane diol, 1,4-butane-diol, butane 1,4-diol, butane diol-1,4, butane-1-4-diol, 1,4- butandiol, Butan-1.4-diol, 1.4 - butanediol, 1,4-Butanediol, 99%, WLN: Q4Q, MLS001061198, CHEMBL171623, 1,4-BUTANEDIOL [MI], 1,4-BUTANEDIOL [HSDB], 1,4-BUTANEDIOL [INCI], HMS3039N12, Tox21_202245, Tox21_303040, NSC406696, STL283940, AKOS000118735, 1,4-Butanediol, for synthesis, 98%, CS-W016669, DB01955, 1,4-Butanediol, ReagentPlus(R), 99%, NCGC00090733-01, NCGC00090733-02, NCGC00257119-01, NCGC00259794-01, BP-21418, SMR000677930, 1,4-Butanediol, ReagentPlus(R), >=99%, B0680, FT-0606811, F71206, 1,4-Butanediol, Vetec(TM) reagent grade, 98%, Q161521, J-503971, J-512798, F0001-0222, InChI=1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H, 732189-03-6

1,4 Butanediol is produced through a single-step fermentation by a metabolically engineered strain of E.coli type bacteria.
1,4 Butanediol intermediate is a versatile diol precursor to numerous derivatives such as esters, carbamates, polyesters and urethanes.
1,4 Butanediol is used mainly as a co-monomer in classical diol-condensation reactions with terephthalic acid to produce polybutylene terephthalate (PBT), with diisocyanates to produce polyurethanes and with diacids to yield polyesters with biodegradability characteristics.

Adverse effects in higher doses include nausea, vomiting, dizziness, sedation, vertigo, and potentially death if ingested in large amounts.
Anxiolytic effects are diminished and side effects increased when used in combination with alcohol.
1,4 Butanediol is produced from sugars derived from the hydrolysis of starch, glucose syrup.

1,4 Butanediol is a colourless, water-miscible, viscous liquid at room temperature (m.p. 16℃) with a high boiling point (230℃), it is mainly used for the production of other organic chemicals, particularly the solvent oxolane (also known as tetrahydrofuran or THF).
1,4 Butanediol is a versatile liquid diol intermediate with reactive primary hydroxyl functionality and a linear structure that lends itself to formulating polyurethane elastomers with a superior balance of properties and cost.
1,4 Butanediol is an industrial chemical, and is illicitly used as a substitute to gamma-hydroxybutyric acid (GHB).

1,4 Butanediol and gamma-butyrolactone (GBL) are structurally similar to gamma-hydroxybutyric acid (GHB) and there is evidence to confirm that GBL and BD are converted to GHB after oral administration.
1,4 Butanediol abuse became popular among teens and young adults at dance clubs and “raves” in the 1990s, and gained notoriety as a date rape drug.
1,4 Butanediol is a colorless, viscous liquid.

1,4 Butanediol is a non-corrosive, colorless, high boiling liquid with a low order of toxicity.
1,4 Butanediol is completely soluble in water, most alcohols, esters, ketones, glycol ethers and acetates, but may be immiscible or partially miscible in common aliphatic and aromatic/chlorinated hydrocarbons.
1,4 Butanediol is produced by Lyondell Chemical Company in a proprietary, multi-step reaction from propylene oxide.

1,4 Butanediol is a versatile chemical intermediate because of its terminal, primary hydroxyl groups and its hydrophobic and chemical resistant nature.
Production of 1,4 Butanediol occurs in a reactor where high-pressure hydrogen is injected into a feedstock chemical stream to produce 1,4 Butanediol.
Within the reactor system, a set of high-pressure process pumps continuously recycle the 1,4 Butanediol reactor fluid.

With large quantities of gas being injected and consumed in the reactor process, the 1,4 Butanediol recycle pumps face challenging conditions.
Polymers produced upon reaction with diacids or diisocyanates are the basis for many commercial polyurethane and polyester applications.
1,4 Butanediol and its derivatives is used in a broad spectrum of applications in the chemical industry; amongst others in the manufacturing of technical plastics, polyurethanes, solvents, electronic chemicals and elastic fibres.

The hydroxyl function of each end group of the 1,4 Butanediol reacts with different mono- and bifunctional reagents: e.g. with dicarboxylic acids to polyesters, with diisocyanates to polyurethanes, or with phosgene to polycarbonates.
1,4 Butanediol has a role as a neurotoxin, a protic solvent and a prodrug. It is a butanediol and a glycol.
1,4 Butanediol has the molecular formula C4H10O2 and the molecular weight 90.12 g/mol.

1,4 Butanediol is a colorless, viscous liquid derived from butane by placement of alcohol groups at each end of its molecular chain and is one of four stable isomers of butanediol.
The hydroxyl function of each end group of the 1,4 Butanediol reacts with different mono- and bifunctional reagents: for example with dicarboxylic acids to polyesters, with diisocyanates to polyurethanes, or with phosgene to polycarbonates.
1,4 Butanediol is a high-quality intermediate.

1,4 Butanediol and its derivatives are widely used for producing plastics, solvents, electronic chemicals and elastic fibers.
1,4 Butanediol, often abbreviated as BDO, is a chemical compound with the molecular formula C4H10O2.
1,4 Butanediol is a colorless and odorless liquid that is miscible with water and many organic solvents.

1,4 Butanediol belongs to a class of compounds known as diols or glycols, which are characterized by having two hydroxyl (-OH) groups on adjacent carbon atoms in their chemical structure.
Additionally 1,4 Butanediol is also a building block for the synthesis of polyesterpolyols and polyetherpolyols.
BASF is the most significant producer of 1,4 Butanediol and its derivatives worldwide.

1,4 Butanediol, not to be confused with 1,3 butanediol, is a primary alcohol, and an organic compound, with the formula HOCH2CH2CH2CH2OH.
1,4 Butanediol is one of four stable isomers of butanediol.

1,4 Butanediol is also used as an intermediate to make polyurethane that is used in auto bumpers and dash boards.
1,4 Butanediol intermediate’s reactive sites are its hydroxyl groups, which undergo all the typical reactions of alcohols.

In addition to the condensation reactions noted above, it can be converted to simple esters and halides, dehydrated to tetrahydrofuran (THF) and dehydrogenated to gamma-butyrolactone.
In 1930, the 1,4 Butanediol) synthesis has evolved to the developments of the second process, the Davy Process which is producing BDO from maleic anhydride / succinic acid.
The third process is the LyondellBassell process that allows use of BDO from Propylene Oxide.

The last one is the Geminox Process-BP chemicals using BDO from Butane.
1,4 Butanediol can be produced through various chemical processes, including the catalytic hydrogenation of maleic anhydride or the oxidation of tetrahydrofuran (THF).
These processes yield 1,4 Butanediol as one of the products.

1,4 Butanediol seems to have two types of pharmacological actions.
The major psychoactive effects of 1,4 Butanediol are because it is metabolized into GHB; however there is a study suggesting that 1,4 Butanediol may have potential alcohol-like pharmacological effects on its own.
The study arrived at this conclusion based on the finding that 1,4 Butanediol coadministered with ethanol led to potentiation of some of the behavioral effects of ethanol.

However, potentiation of ethanol's effects may simply be caused by competition for the alcohol dehydrogenase and aldehyde dehydrogenase enzymes with co-administered 1,4 Butanediol.
The shared metabolic rate-limiting steps thus leads to slowed metabolism and clearance for both compounds including ethanol's known toxic metabolite acetaldehyde
Another study found no effect following intracerebroventricular injection of 1,4 Butanediol in rats.

This contradicts the hypothesis of 1,4 Butanediol having inherent alcohol-like pharmacological effects.
1,4 Butanediol is produced by hydroformylation of allyl alcohol with carbon monoxide and hydrogen, which is then followed by hydrogenation.
1,4 Butanediol is a colorless liquid with high boiling point and low toxicity.

1,4 Butanediol is of great industrial importance as a starting material for numerous chemical synthesis processes and for the production of plastics.
Large amounts of the substance are obtained in a two-stage process from formaldehyde and acetylene with subsequent hydrogenation of the intermediate 1,4 Butanediol.
In addition, there are processes based on propene and maleic anhydride.

Manufacturing processes based on the fermentation of renewable raw materials are also gradually gaining in importance.
1,4 Butanediol, also termed as 1,4-butylene glycol or 1,4 Butanediol, is an organic compound that is primarily utilized in the production of plastics, fibers, and solvents.
1,4 Butanediol is a versatile chemical intermediate that possesses excellent durability, strength and thermal stability.

1,4 Butanediol is most commonly used to produce tetrahydrofuran (THF), an extremely flammable, colorless liquid employed as an intermediate in polytetramethylene ether glycol (PTMEG) production.
This is then further processed to yield the highly popular apparel fiber - spandex, which is used in medical, automotive & sports applications.
1,4 Butanediol is heat and light sensitive.

1,4-Butanediol reacts with acid chlorides, acid anhydrides and chloroformates; reacts with oxidizing agents and reducing agents.
1,4 Butanediol is incompatible with isocyanates and acids; also incompatible with peroxides, perchloric acid, sulfuric acid, hypochlorous acid, nitric acid, caustics, acetaldehyde, nitrogen peroxide and chlorine.
1,4 Butanediol is a colorless viscous liquid diol that can be obtained by 4 different processes.

The first one is the Reppe process which consist of the reaction between the acetylene and the formaldehyde.
1,4 Butanediol has a wide application scope in several end-use industries including footwear, electronics, automotive and packaging among others.
1,4 Butanediol is a 1,4 Butanediol that is butane in which one hydrogen of each of the methyl groups is substituted by a hydroxy group.

Melting point: 16 °C (lit.)
Boiling point: 230 °C (lit.)
Density: 1.017 g/mL at 25 °C (lit.)
vapor density: 3.1 (vs air)
vapor pressure: refractive index: n20/D 1.445(lit.)
Flash point: 135 °C
storage temp.: Store below +30°C.
pka: 14.73±0.10(Predicted)
form: Liquid
color: Clear colorless
PH: 7-8 (500g/l, H2O, 20℃)
Odor: Odorless
Viscosity: 83.2mm2/s
explosive limit: 1.95-18.3%(V)
Water Solubility: Miscible
Sensitive: Hygroscopic
BRN: 1633445
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, mineral acids, acid chlorides, acid anhydrides.
InChIKey:WERYXYBDKMZEQL-UHFFFAOYSA-N
LogP: -0.88 at 25℃

In PU production, 1,4 Butanediol is reacted with diisocyanates to form polyurethane polymers used in foam, coatings, adhesives, and elastomers.
In addition, 1,4 Butanediol itself serves as a solvent as well as a plasticizer, a humectant, a carrier fluid for ultrasonic applications, and as an additive in lubricants.
The environmental impact of 1,4 Butanediol largely depends on its usage and disposal.

1,4 Butanediol can be used as a solvent for various applications, such as cleaning agents and paint strippers.
In the production of polyurethane foams, 1,4 Butanediol is often reacted with diisocyanates to form the polyurethane matrix.
This process allows for the creation of foams with different properties, such as flexible foams used in upholstery and mattresses or rigid foams used in insulation.

1,4 Butanediol is a crucial component in the synthesis of spandex fibers, which are known for their exceptional elasticity and stretch.
1,4 Butanediol of the highest quality - from a reliable partner who will also meet your requirements in the long term.
The liquid can be delivered promptly in drums with a capacity of 200 kg or loose in iso containers and road tankers.

1,4 Butanediol is an important industrial material that can be used as a food additive and a flavoring agent such as Acetoin and Diacetyl, plasticizers for thermosetting polymeric materials, and precursors of polyurethanes used in cosmetics and pharmaceutical industries.
In particular, 1,4 Butanediol can be applied as a humectant in cosmetics and personal care materials.

In the case of raw cosmetics materials or personal care products, 1,4 Butanediol assists in the development of natural ingredients rather than chemical synthesis.
Gas can become entrained and loss of liquid in the pump end becomes a primary concern.
In industrial chemical synthesis, acetylene reacts with two equivalents of formaldehyde to form 1,4 Butanediol.

Hydrogenation of Butanedi[2]ol (BDO) gives 1,4 Butanediol.
1,4 Butanediol is also made on an industrial scale from maleic anhydride in the Davy process, which is first converted to the methyl maleate ester, then hydrogenated.
Other routes are from 1,4 Butanediol, allyl acetate and succinic acid.

A biological route to 1,4 Butanediol has been commercialized that uses a genetically modified organism.
1,4 Butanediol is rapidly converted into gamma-hydroxybutyric acid by the enzymes alcohol dehydrogenase and aldehyde dehydrogenase, and differing levels of these enzymes may account for differences in effects and side effects between users.
While co-administration of ethanol and GHB already poses serious risks, co-administration of ethanol with 1,4 Butanediol will interact considerably and has many other otential risks.

This is because the same enzymes that are responsible for metabolizing alcohol also metabolize 1,4 Butanediol so there is a strong chance of a dangerous drug interaction.
Emergency room patients who overdose on both ethanol and 1,4 Butanediol often present with symptoms of alcohol intoxication initially and as the ethanol is metabolized the 1,4 Butanediol is then able to better compete for the enzyme and a second period of intoxication ensues as the 1,4 Butanediol is converted into GHB.
While 1,4 Butanediol is not currently scheduled federally in the United States, a number of states have classified 1,4 Butanediol as a controlled substance.

Individuals have been prosecuted for possession of 1,4 Butanediol under the Federal Analog Act as substantially similar to GHB.
A federal case in New York in 2002 ruled that 1,4 Butanediol could not be considered an analog of GHB under federal law, but that decision was later overturned by the Second Circuit.
A jury in Federal District Court in Chicago found that 1,4 Butanediol was not an analog of GHB under federal law, which was not disputed on the case's appeal to the Seventh Circuit Court of Appeals, however this finding did not affect the outcome of the case.

In the United Kingdom, 1,4 Butanediol was scheduled in December 2009 (along with another GHB precursor, gamma-butyrolactone) as a Class C controlled substance.
In Germany, the drug is not explicitly illegal, but might also be treated as illegal if used as a drug.
1,4 Butanediol is controlled as a Schedule VI precursor in Canada.

1,4 Butanediol finds applications in tetrahydrofuran, polyurethane and polybutylene terephthalate resins production (major application spheres) among others 1,4 Butanediol is traditionally produced from petrochemical-based sources; the recent trend in the industry is bio-BDO production (bio-butanediol from bio-succinic acid or from dextrose).
Asia Pacific dominates the world 1,4 Butanediol market both in terms of production and consumption global consumption of butanediol is predicted to increase at 4-4.5% per year polyurethane production is expected to be the fastest growing segment of global 1,4
Butanediol market, besides good demand from tetrahydrofuran and polybutylene terephthalate sectors will also stimulate the world butadiene market growth.

1,4 Butanediol is an important starting material for the production of solvents such as γ-butyrolactone, N-methyl-2-pyrrolidone and tetrahydrofuran.
Processing techniques that maximize the efficacy of raw materials through the usage of technologies such as fermentation is actively underway.
1,4 Butanediol is a key component in the production of polybutylene terephthalate (PBT) and polyurethane (PU) plastics.

1,4 Butanediol is used in the textile industry to produce spandex fibers, which are known for their elasticity and stretch.
1,4 Butanediol serves as an intermediate in the synthesis of various chemicals, including gamma-butyrolactone (GBL) and butanediol dimethacrylate (BDDMA).

Apart from its role in polymer formation, 1,4 Butanediol can undergo various chemical reactions, such as esterification and etherification, to produce derivatives with specific properties for different applications.
Due to its potential for conversion into GHB in the body when ingested, the misuse of 1,4 Butanediol as a recreational drug is a significant safety concern.

1,4 Butanediol is a central nervous system depressant and can lead to serious health risks, including overdose and addiction.
As a result, many countries and regions have implemented strict controls and regulations on the sale and possession of 1,4 Butanediol.
The regulatory status of 1,4 Butanediol can vary by jurisdiction.

In some places, it is classified as a controlled substance due to its potential for misuse, while in others, it may be subject to industrial regulations.
In industrial settings, where proper safety measures are followed, exposure to 1,4 Butanediol is generally controlled to minimize health risks.
However, inhalation or skin contact with this chemical can still lead to irritation, and safety precautions should be followed to prevent exposure.

Uses:
1,4 Butanediol serves as a chemical intermediate in the production of various other chemicals.
In some formulations, 1,4 Butanediol can be incorporated into lubricants and hydraulic fluids to improve their viscosity and performance characteristics.
Research has explored the use of 1,4 Butanediol as a component in certain energy storage systems, such as redox flow batteries, due to its ability to store and release energy efficiently.

1,4 Butanediol can be used in the formulation of certain pesticides and herbicides, as well as in the synthesis of agricultural chemicals.
1,4 Butanediol is also used in laboratory settings and research applications as a versatile chemical reagent for various experimental and synthesis purposes.
1,4 Butanediol can be employed as an intermediate in the synthesis of certain pharmaceutical compounds.

In some cosmetic and personal care products, 1,4 Butanediol may be used as a humectant or moisturizer to help retain moisture in the skin.
1,4 Butanediol can participate in various chemical reactions, allowing for the synthesis of specialized chemicals for specific applications.
1,4 Butanediol is used to produce polybutyleneterephthalate, a thermoplastic polyester;and in making tetrahydrofuran, butyrolactones,and polymeric plasticizers.

1,4 Butanediol is used industrially as a solvent and in the manufacture of some types of plastics, elastic fibers and polyurethanes.
In organic chemistry, 1,4 Butanediol is used for the synthesis of γ-butyrolactone (GBL).
In the presence of phosphoric acid and high temperature, it dehydrates to the important solvent tetrahydrofuran.

1,4 Butanediol enhances the preservative activity of parabens.
At about 200 °C in the presence of soluble ruthenium catalysts, the diol undergoes dehydrogenation to form butyrolactone.
It is used to synthesize 1,4 Butanediol diglycidyl ether which is then used as a reactive diluent for epoxy resins.

In 2013, worldwide production was claimed to be billions of lbs (consistent with approximately one million metric tons).
Almost half of 1,4 Butanediol is dehydrated to tetrahydrofuran to make fibers such as Spandex.
1,4 Butanediol and Bio-BDO are commonly used as solvent but also as building block in PBT (Polybutylene terephthalate), COPE (Thermoplastic Copolyester Elastomers), TPU (Thermoplastic Polyurethane), PU (Polyurethane), Resins, PTMEG : Spandex fibres (polyester + diisocyanate) and Copolyester for Hot Melt Adhesive.

1,4 Butanediol is utilized in the formulation of adhesives and sealants, especially in the automotive and construction industries.
1,4 Butanediol can enhance the adhesive properties and flexibility of these products.
In addition to its role in plastics and adhesives,

1,4 Butanediol is used in automotive manufacturing for components such as bumpers, dashboards, and interior trims.
1,4 Butanediols incorporation into various automotive materials helps improve their strength and durability.
1,4 Butanediol may be used as a food additive in certain food products.

1,4 Butanediol can also serve as a carrier for flavors and fragrances due to its neutral odor and taste.
1,4 Butanediol also serves as a humectant and viscosity controller, and to mask odor.
1,4 Butanediol is also used as a plasticiser (e.g. in polyesters and cellulosics), as a carrier solvent in printing ink, a cleaning agent, an adhesive (in leather, plastics, polyester laminates and polyurethane footwear), in agricultural and veterinary chemicals and in coatings (in paints, varnishes and films).

1,4 Butanediol is used in the formulation of industrial cleaning products and degreasers.
For example, it can be converted into gamma-butyrolactone (GBL), which is used as a solvent and precursor in the synthesis of pharmaceuticals and industrial chemicals.
1,4 Butanediol can be used as a solvent in industrial and commercial applications.

1,4 Butanediol is effective at dissolving a wide range of substances and is used in processes like paint stripping and cleaning.
Industrial coatings, including paints and varnishes, may contain 1,4 Butanediol to improve their performance characteristics, such as adhesion, flexibility, and durability.
1,4 Butanediol is employed in the production of circuit boards and electrical insulation materials, where its properties contribute to the performance and reliability of electronic components.

In some wastewater treatment processes, 1,4 Butanediol can be used as a biodegradable and environmentally friendly solvent for removing pollutants or contaminants from water.
1,4 Butanediol serves as a precursor in the synthesis of various chemicals, including plasticizers, lubricants, and specialty chemicals, used in different industrial applications.
1,4 Butanediol is used as a raw material and intermediate product in numerous processes in the chemical industry.

1,4 Butanediols ability to dissolve a wide range of substances makes it valuable in industrial processes.
1,4 Butanediol is a key component in the synthesis of polyurethane, a versatile polymer used in the manufacture of foams, coatings, adhesives, and elastomers.
1,4 Butanediol is used as a pharmaceutical intermediate in the synthesis of certain drugs and medicines.

1,4 Butanediol is used in the synthesis of various organic compounds, including some perfumes, vitamins, and herbicides.
1,4 Butanediol can be found in some personal care products, such as cosmetics and skin creams, where it may act as a moisturizer or humectant.
One of the most significant applications of 1,4 Butanediol is in the production of polyurethane (PU) materials.

1,4 Butanediol is used as a diol component in the synthesis of PU foams, coatings, adhesives, and elastomers.
PU is a versatile polymer known for its flexibility, durability, and insulation properties, making it valuable in various industries, including construction, automotive, and furniture.
1,4 Butanediol is used in the production of engineering plastics, such as polybutylene terephthalate (PBT).

1,4 Butanediol is used, among other things, for the production of polyurethanes, polyamides, polycarbonates and polyesters.
1,4 Butanediol serves as a solvent in the production of plastics, resins, and other chemicals.
1,4 Butanediol is also used as a recreational drug known by some users as "One Comma Four", "Liquid Fantasy", "One Four Bee" or "One Four B-D-O".

A few Federal Courts have stated that 1,4 Butanediol exerts effects similar to gamma-hydroxybutyrate (GHB), which is a metabolic product of 1,4 Butanediol.
But other Federal courts have ruled that it is not.
1,4 Butanediol and its derivatives is used in a broad spectrum of applications in the chemical industry; amongst others in the manufacturing of technical plastics, polyurethanes, solvents, electronic chemicals and elastic fibres.

1,4 Butanediol is used in the synthesis of epothilones, a new class of cancer drugs. Also used in the stereoselective synthesis of (-)-Brevisamide.
1,4 Butanediol's largest use is within tetrahydrofuran (THF) production, used to make polytetramethylene ether glycol, which goes mainly into spandex fibers, urethane elastomers, and copolyester ethers.
1,4 Butanediol is commonly used as a solvent in the chemical industry to manufacture gamma-butyrolactone and elastic fibers like spandex.

1,4 Butanediol is used as a cross-linking agent for thermoplastic urethanes, polyester plasticizers, paints and coatings.
1,4 Butanediol undergoes dehydration in the presence of phosphoric acid yielded teterahydrofuran, which is an important solvent used for various applications.
1,4 Butanediol acts an intermediate and is used to manufacture polytetramethylene ether glycol (PTMEG), polybutylene terephthalate (PBT) and polyurethane (PU).

1,4 Butanediol finds application as an industrial cleaner and a glue remover.
1,4 Butanediol is a solvent with good antimicrobial action.
These plastics find applications in automotive components, electrical connectors, and consumer goods due to their heat resistance and mechanical strength.

1,4 Butanediol is a critical component in the synthesis of spandex fibers, which are highly elastic and used in textiles and clothing.
Spandex provides stretch and comfort in sportswear, swimwear, and undergarments.

Safety Profile:
1,4 Butanediol is important to wear appropriate personal protective equipment, such as gloves and safety goggles, when handling BDO to prevent skin or eye contact.
Incompatible with oxidizing materials. When heated to decomposition it emits acrid smoke and fumes.
Safety and Regulation: While 1,4 Butanediol has many industrial uses.

1,4 Butanediol is considered a hazardous chemical, and its handling and transportation are subject to regulations and safety precautions.
In addition, 1,4 Butanediol should not be confused with substances like gamma-hydroxybutyrate (GHB), which is a recreational drug and illegal in many places.
1,4 Butanediol is essential to handle it with care.

1,4 Butanediol a human poison by an unspecified route.
Moderately toxic byingestion and intraperitoneal routes.

1,4 Butanediol has a flash point, which is the lowest temperature at which it can ignite if exposed to an open flame or spark.
Therefore, it should be stored and handled away from open flames, sparks, and other potential ignition sources.
1,4 Butanediol can cause skin and eye irritation upon direct contact.


1,4 BUTANEDIOL (BDO)
1,4 butanediol (BDO) is an organic compound belonging to the divalent alcohols.
1,4 butanediol (BDO) is a versatile chemical intermediate because of its terminal, primary hydroxyl groups and its hydrophobic and chemical resistant nature.
1,4 butanediol (BDO) is a colorless, viscous liquid derived from butane by placement of alcohol groups at each end of its molecular chain and is one of four stable isomers of butanediol.

CAS Number: 110-63-4
Molecular Formula: C4H10O2
Molecular Weight: 90.12
EINECS Number: 203-786-5

Synonyms: 1,4-BUTANEDIOL, 1,4 butanediol (BDO), 110-63-4, Tetramethylene glycol, 1,4-Butylene glycol, 1,4-Dihydroxybutane, 1,4-Tetramethylene glycol, Tetramethylene 1,4-diol, Sucol B, DIOL 14B, 1,4-BD, Agrisynth B1D, HO(CH2)4OH, CCRIS 5984, NSC 406696, HSDB 1112, HOCH2CH2CH2CH2OH, UNII-7XOO2LE6G3, EINECS 203-786-5, 7XOO2LE6G3, BRN 1633445, 1,4 butylene glycol, DTXSID2024666, CHEBI:41189, AI3-07553, NSC-406696, DTXCID804666, EC 203-786-5, 4-01-00-02515 (Beilstein Handbook Reference), BDO, Dabco DBO, BU1, CAS-110-63-4, MFCD00002968, Dihydroxybutane, 4-hydroxybutanol, 1,4butanediol, 1.4-butanediol, Dabco BDO, 1,4-butandiol, 1,4-butane diol, 1,4-butane-diol, butane 1,4-diol, butane diol-1,4, butane-1-4-diol, 1,4- butandiol, Butan-1.4-diol, 1.4 - butanediol, 1,4-Butanediol, 99%, WLN: Q4Q, MLS001061198, CHEMBL171623, 1,4-BUTANEDIOL [MI], 1,4-BUTANEDIOL [HSDB], 1,4-BUTANEDIOL [INCI], HMS3039N12, Tox21_202245, Tox21_303040, NSC406696, STL283940, AKOS000118735, 1,4-Butanediol, for synthesis, 98%, CS-W016669, DB01955, 1,4-Butanediol, ReagentPlus(R), 99%, NCGC00090733-01, NCGC00090733-02, NCGC00257119-01, NCGC00259794-01, BP-21418, SMR000677930, 1,4-Butanediol, ReagentPlus(R), >=99%, B0680, FT-0606811, F71206, 1,4-Butanediol, Vetec(TM) reagent grade, 98%, Q161521, J-503971, J-512798, F0001-0222, InChI=1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H, 732189-03-6

1,4 butanediol (BDO) is produced by hydroformylation of allyl alcohol with carbon monoxide and hydrogen, which is then followed by hydrogenation.
1,4 butanediol (BDO) is a colorless liquid with high boiling point and low toxicity.
1,4 butanediol (BDO) is of great industrial importance as a starting material for numerous chemical synthesis processes and for the production of plastics.

The hydroxyl function of each end group of the 1,4 butanediol (BDO) reacts with different mono- and bifunctional reagents: for example with dicarboxylic acids to polyesters, with diisocyanates to polyurethanes, or with phosgene to polycarbonates.
1,4 butanediol (BDO) is a high-quality intermediate.
BDO and its derivatives are widely used for producing plastics, solvents, electronic chemicals and elastic fibers.

The major psychoactive effects of 1,4 butanediol (BDO) are because it is metabolized into GHB; however there is a study suggesting that 1,4 butanediol (BDO) may have potential alcohol-like pharmacological effects on its own.
The study arrived at this conclusion based on the finding that 1,4 butanediol (BDO) coadministered with ethanol led to potentiation of some of the behavioral effects of ethanol.
However, potentiation of ethanol's effects may simply be caused by competition for the alcohol dehydrogenase and aldehyde dehydrogenase enzymes with co-administered 1,4 butanediol (BDO).

The shared metabolic rate-limiting steps thus leads to slowed metabolism and clearance for both compounds including ethanol's known toxic metabolite acetaldehyde
Another study found no effect following intracerebroventricular injection of 1,4 butanediol (BDO) in rats.
This contradicts the hypothesis of 1,4 butanediol (BDO) having inherent alcohol-like pharmacological effects.

Large amounts of the substance are obtained in a two-stage process from formaldehyde and acetylene with subsequent hydrogenation of the intermediate 1,4 butanediol (BDO).
In addition, there are processes based on propene and maleic anhydride.
Manufacturing processes based on the fermentation of renewable raw materials are also gradually gaining in importance.

1,4 butanediol (BDO), also termed as 1,4-butylene glycol or 1,4 butanediol (BDO), is an organic compound that is primarily utilized in the production of plastics, fibers, and solvents.
1,4 butanediol (BDO) is a versatile chemical intermediate that possesses excellent durability, strength and thermal stability.
1,4 butanediol (BDO) is most commonly used to produce tetrahydrofuran (THF), an extremely flammable, colorless liquid employed as an intermediate in polytetramethylene ether glycol (PTMEG) production.

This is then further processed to yield the highly popular apparel fiber - spandex, which is used in medical, automotive & sports applications.
1,4 butanediol (BDO) is heat and light sensitive.
1,4-Butanediol reacts with acid chlorides, acid anhydrides and chloroformates; reacts with oxidizing agents and reducing agents.

1,4 butanediol (BDO) is incompatible with isocyanates and acids; also incompatible with peroxides, perchloric acid, sulfuric acid, hypochlorous acid, nitric acid, caustics, acetaldehyde, nitrogen peroxide and chlorine.
1,4 butanediol (BDO) is a colorless viscous liquid diol that can be obtained by 4 different processes.
The first one is the Reppe process which consist of the reaction between the acetylene and the formaldehyde.

1,4 butanediol (BDO) has a wide application scope in several end-use industries including footwear, electronics, automotive and packaging among others.
1,4 butanediol (BDO) is a 1,4 butanediol (BDO) that is butane in which one hydrogen of each of the methyl groups is substituted by a hydroxy group.

1,4 butanediol (BDO), often abbreviated as BDO, is a chemical compound with the molecular formula C4H10O2.
1,4 butanediol (BDO) is a colorless and odorless liquid that is miscible with water and many organic solvents.
1,4 butanediol (BDO) belongs to a class of compounds known as diols or glycols, which are characterized by having two hydroxyl (-OH) groups on adjacent carbon atoms in their chemical structure.

Additionally 1,4 butanediol (BDO) is also a building block for the synthesis of polyesterpolyols and polyetherpolyols.
BASF is the most significant producer of 1,4 butanediol (BDO) and its derivatives worldwide.
1,4 butanediol (BDO), not to be confused with 1,3 butanediol, is a primary alcohol, and an organic compound, with the formula HOCH2CH2CH2CH2OH.

1,4 butanediol (BDO) is one of four stable isomers of butanediol.
1,4 butanediol (BDO) is also used as an intermediate to make polyurethane that is used in auto bumpers and dash boards.
1,4 butanediol (BDO) intermediate’s reactive sites are its hydroxyl groups, which undergo all the typical reactions of alcohols.

In addition to the condensation reactions noted above, it can be converted to simple esters and halides, dehydrated to tetrahydrofuran (THF) and dehydrogenated to gamma-butyrolactone.
In 1930, the 1,4 butanediol (BDO)) synthesis has evolved to the developments of the second process, the Davy Process which is producing BDO from maleic anhydride / succinic acid.
The third process is the LyondellBassell process that allows use of BDO from Propylene Oxide.

The last one is the Geminox Process-BP chemicals using BDO from Butane.
1,4 butanediol (BDO) can be produced through various chemical processes, including the catalytic hydrogenation of maleic anhydride or the oxidation of tetrahydrofuran (THF).
These processes yield 1,4 butanediol (BDO) as one of the products.

1,4 butanediol (BDO) seems to have two types of pharmacological actions.
Production of 1,4 butanediol (BDO) occurs in a reactor where high-pressure hydrogen is injected into a feedstock chemical stream to produce 1,4 butanediol (BDO).
Within the reactor system, a set of high-pressure process pumps continuously recycle the 1,4 butanediol (BDO) reactor fluid.

With large quantities of gas being injected and consumed in the reactor process, the 1,4 butanediol (BDO) recycle pumps face challenging conditions.
Polymers produced upon reaction with diacids or diisocyanates are the basis for many commercial polyurethane and polyester applications.
1,4 butanediol (BDO) and its derivatives is used in a broad spectrum of applications in the chemical industry; amongst others in the manufacturing of technical plastics, polyurethanes, solvents, electronic chemicals and elastic fibres.

The hydroxyl function of each end group of the 1,4 butanediol (BDO) reacts with different mono- and bifunctional reagents: e.g. with dicarboxylic acids to polyesters, with diisocyanates to polyurethanes, or with phosgene to polycarbonates.
1,4 butanediol (BDO) has a role as a neurotoxin, a protic solvent and a prodrug. It is a butanediol and a glycol.
1,4 butanediol (BDO) has the molecular formula C4H10O2 and the molecular weight 90.12 g/mol.

1,4 butanediol (BDO) is also a building block for the synthesis of polyesterpolyols and polyetherpolyols.
1,4 butanediol (BDO) is safe only in small amounts.
Adverse effects in higher doses include nausea, vomiting, dizziness, sedation, vertigo, and potentially death if ingested in large amounts.
Anxiolytic effects are diminished and side effects increased when used in combination with alcohol.

1,4 butanediol (BDO) is produced from sugars derived from the hydrolysis of starch, glucose syrup.
1,4 butanediol (BDO) is produced through a single-step fermentation by a metabolically engineered strain of E.coli type bacteria.
1,4 butanediol (BDO) intermediate is a versatile diol precursor to numerous derivatives such as esters, carbamates, polyesters and urethanes.

1,4 butanediol (BDO) is used mainly as a co-monomer in classical diol-condensation reactions with terephthalic acid to produce polybutylene terephthalate (PBT), with diisocyanates to produce polyurethanes and with diacids to yield polyesters with biodegradability characteristics.
1,4 butanediol (BDO) is a colourless, water-miscible, viscous liquid at room temperature (m.p. 16℃) with a high boiling point (230℃), it is mainly used for the production of other organic chemicals, particularly the solvent oxolane (also known as tetrahydrofuran or THF).
1,4 butanediol (BDO) is a versatile liquid diol intermediate with reactive primary hydroxyl functionality and a linear structure that lends itself to formulating polyurethane elastomers with a superior balance of properties and cost.

1,4 butanediol (BDO) is an industrial chemical, and is illicitly used as a substitute to gamma-hydroxybutyric acid (GHB).
1,4 butanediol (BDO) and gamma-butyrolactone (GBL) are structurally similar to gamma-hydroxybutyric acid (GHB) and there is evidence to confirm that GBL and BD are converted to GHB after oral administration.

1,4 butanediol (BDO) abuse became popular among teens and young adults at dance clubs and “raves” in the 1990s, and gained notoriety as a date rape drug.
1,4 butanediol (BDO) is a colorless, viscous liquid.

1,4 butanediol (BDO) is a non-corrosive, colorless, high boiling liquid with a low order of toxicity.
1,4 butanediol (BDO) is completely soluble in water, most alcohols, esters, ketones, glycol ethers and acetates, but may be immiscible or partially miscible in common aliphatic and aromatic/chlorinated hydrocarbons.
1,4 butanediol (BDO) is produced by Lyondell Chemical Company in a proprietary, multi-step reaction from propylene oxide.

Melting point: 16 °C (lit.)
Boiling point: 230 °C (lit.)
Density: 1.017 g/mL at 25 °C (lit.)
vapor density: 3.1 (vs air)
vapor pressure: refractive index: n20/D 1.445(lit.)
Flash point: 135 °C
storage temp.: Store below +30°C.
pka: 14.73±0.10(Predicted)
form: Liquid
color: Clear colorless
PH: 7-8 (500g/l, H2O, 20℃)
Odor: Odorless
Viscosity: 83.2mm2/s
explosive limit: 1.95-18.3%(V)
Water Solubility: Miscible
Sensitive: Hygroscopic
BRN: 1633445
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, mineral acids, acid chlorides, acid anhydrides.
InChIKey:WERYXYBDKMZEQL-UHFFFAOYSA-N
LogP: -0.88 at 25℃

1,4 butanediol (BDO) finds applications in tetrahydrofuran, polyurethane and polybutylene terephthalate resins production (major application spheres) among others 1,4 butanediol (BDO) is traditionally produced from petrochemical-based sources; the recent trend in the industry is bio-BDO production (bio-butanediol from bio-succinic acid or from dextrose).
Asia Pacific dominates the world 1,4 butanediol (BDO) market both in terms of production and consumption global consumption of butanediol is predicted to increase at 4-4.5% per year polyurethane production is expected to be the fastest growing segment of global 1,4 butanediol (BDO) market, besides good demand from tetrahydrofuran and polybutylene terephthalate sectors will also stimulate the world butadiene market growth.

1,4 butanediol (BDO) is an important starting material for the production of solvents such as γ-butyrolactone, N-methyl-2-pyrrolidone and tetrahydrofuran.
Processing techniques that maximize the efficacy of raw materials through the usage of technologies such as fermentation is actively underway.
1,4 butanediol (BDO) is a key component in the production of polybutylene terephthalate (PBT) and polyurethane (PU) plastics.

1,4 butanediol (BDO) is used in the textile industry to produce spandex fibers, which are known for their elasticity and stretch.
1,4 butanediol (BDO) serves as an intermediate in the synthesis of various chemicals, including gamma-butyrolactone (GBL) and butanediol dimethacrylate (BDDMA).

Apart from its role in polymer formation, 1,4 butanediol (BDO) can undergo various chemical reactions, such as esterification and etherification, to produce derivatives with specific properties for different applications.
Due to its potential for conversion into GHB in the body when ingested, the misuse of 1,4 butanediol (BDO) as a recreational drug is a significant safety concern.

1,4 butanediol (BDO) is a central nervous system depressant and can lead to serious health risks, including overdose and addiction.
As a result, many countries and regions have implemented strict controls and regulations on the sale and possession of 1,4 butanediol (BDO).
The regulatory status of 1,4 butanediol (BDO) can vary by jurisdiction.

In some places, it is classified as a controlled substance due to its potential for misuse, while in others, it may be subject to industrial regulations.
In industrial settings, where proper safety measures are followed, exposure to 1,4 butanediol (BDO) is generally controlled to minimize health risks.
However, inhalation or skin contact with this chemical can still lead to irritation, and safety precautions should be followed to prevent exposure.

This is because the same enzymes that are responsible for metabolizing alcohol also metabolize 1,4 butanediol (BDO) so there is a strong chance of a dangerous drug interaction.
Emergency room patients who overdose on both ethanol and 1,4 butanediol (BDO) often present with symptoms of alcohol intoxication initially and as the ethanol is metabolized the 1,4 butanediol (BDO) is then able to better compete for the enzyme and a second period of intoxication ensues as the 1,4 butanediol (BDO) is converted into GHB.
While 1,4 butanediol (BDO) is not currently scheduled federally in the United States, a number of states have classified 1,4 butanediol (BDO) as a controlled substance.

Individuals have been prosecuted for possession of 1,4 butanediol (BDO) under the Federal Analog Act as substantially similar to GHB.
A federal case in New York in 2002 ruled that 1,4 butanediol (BDO) could not be considered an analog of GHB under federal law, but that decision was later overturned by the Second Circuit.
A jury in Federal District Court in Chicago found that 1,4 butanediol (BDO) was not an analog of GHB under federal law, which was not disputed on the case's appeal to the Seventh Circuit Court of Appeals, however this finding did not affect the outcome of the case.

In the United Kingdom, 1,4 butanediol (BDO) was scheduled in December 2009 (along with another GHB precursor, gamma-butyrolactone) as a Class C controlled substance.
In Germany, the drug is not explicitly illegal, but might also be treated as illegal if used as a drug.
1,4 butanediol (BDO) is controlled as a Schedule VI precursor in Canada.

In PU production, 1,4 butanediol (BDO) is reacted with diisocyanates to form polyurethane polymers used in foam, coatings, adhesives, and elastomers.
In addition, 1,4 butanediol (BDO) itself serves as a solvent as well as a plasticizer, a humectant, a carrier fluid for ultrasonic applications, and as an additive in lubricants.
The environmental impact of 1,4 butanediol (BDO) largely depends on its usage and disposal.

1,4 butanediol (BDO) can be used as a solvent for various applications, such as cleaning agents and paint strippers.
In the production of polyurethane foams, 1,4 butanediol (BDO) is often reacted with diisocyanates to form the polyurethane matrix.

This process allows for the creation of foams with different properties, such as flexible foams used in upholstery and mattresses or rigid foams used in insulation.
1,4 butanediol (BDO) is a crucial component in the synthesis of spandex fibers, which are known for their exceptional elasticity and stretch.
1,4 butanediol (BDO) of the highest quality - from a reliable partner who will also meet your requirements in the long term.

The liquid can be delivered promptly in drums with a capacity of 200 kg or loose in iso containers and road tankers.
1,4 butanediol (BDO) is an important industrial material that can be used as a food additive and a flavoring agent such as Acetoin and Diacetyl, plasticizers for thermosetting polymeric materials, and precursors of polyurethanes used in cosmetics and pharmaceutical industries.
In particular, 1,4 butanediol (BDO) can be applied as a humectant in cosmetics and personal care materials.

In the case of raw cosmetics materials or personal care products, 1,4 butanediol (BDO) assists in the development of natural ingredients rather than chemical synthesis.
Gas can become entrained and loss of liquid in the pump end becomes a primary concern.
In industrial chemical synthesis, acetylene reacts with two equivalents of formaldehyde to form 1,4 butanediol (BDO).

Hydrogenation of Butanedi[2]ol (BDO) gives 1,4 butanediol (BDO).
1,4 butanediol (BDO) is also made on an industrial scale from maleic anhydride in the Davy process, which is first converted to the methyl maleate ester, then hydrogenated.
Other routes are from 1,4 butanediol (BDO), allyl acetate and succinic acid.

A biological route to 1,4 butanediol (BDO) has been commercialized that uses a genetically modified organism.
1,4 butanediol (BDO) is rapidly converted into gamma-hydroxybutyric acid by the enzymes alcohol dehydrogenase and aldehyde dehydrogenase, and differing levels of these enzymes may account for differences in effects and side effects between users.
While co-administration of ethanol and GHB already poses serious risks, co-administration of ethanol with 1,4 butanediol (BDO) will interact considerably and has many other otential risks.

Uses:
1,4 butanediol (BDO) can enhance the adhesive properties and flexibility of these products.
For example, it can be converted into gamma-butyrolactone (GBL), which is used as a solvent and precursor in the synthesis of pharmaceuticals and industrial chemicals.
1,4 butanediol (BDO) can be used as a solvent in industrial and commercial applications.

1,4 butanediol (BDO) is effective at dissolving a wide range of substances and is used in processes like paint stripping and cleaning.
Industrial coatings, including paints and varnishes, may contain 1,4 butanediol (BDO) to improve their performance characteristics, such as adhesion, flexibility, and durability.
1,4 butanediol (BDO) is employed in the production of circuit boards and electrical insulation materials, where its properties contribute to the performance and reliability of electronic components.

In some wastewater treatment processes, 1,4 butanediol (BDO) can be used as a biodegradable and environmentally friendly solvent for removing pollutants or contaminants from water.
1,4 butanediol (BDO) serves as a precursor in the synthesis of various chemicals, including plasticizers, lubricants, and specialty chemicals, used in different industrial applications.
1,4 butanediol (BDO) is used as a raw material and intermediate product in numerous processes in the chemical industry.

1,4 butanediol (BDO)s ability to dissolve a wide range of substances makes it valuable in industrial processes.
1,4 butanediol (BDO) is a key component in the synthesis of polyurethane, a versatile polymer used in the manufacture of foams, coatings, adhesives, and elastomers.
1,4 butanediol (BDO) is used as a pharmaceutical intermediate in the synthesis of certain drugs and medicines.

1,4 butanediol (BDO) is used in the synthesis of various organic compounds, including some perfumes, vitamins, and herbicides.
1,4 butanediol (BDO) can be found in some personal care products, such as cosmetics and skin creams, where it may act as a moisturizer or humectant.
One of the most significant applications of 1,4 butanediol (BDO) is in the production of polyurethane (PU) materials.

1,4 butanediol (BDO) is used as a diol component in the synthesis of PU foams, coatings, adhesives, and elastomers.
PU is a versatile polymer known for its flexibility, durability, and insulation properties, making it valuable in various industries, including construction, automotive, and furniture.
1,4 butanediol (BDO) is used in the production of engineering plastics, such as polybutylene terephthalate (PBT).

1,4 butanediol (BDO) is used, among other things, for the production of polyurethanes, polyamides, polycarbonates and polyesters.
1,4 butanediol (BDO) serves as a solvent in the production of plastics, resins, and other chemicals.
1,4 butanediol (BDO) is also used as a recreational drug known by some users as "One Comma Four", "Liquid Fantasy", "One Four Bee" or "One Four B-D-O".

A few Federal Courts have stated that 1,4 butanediol (BDO) exerts effects similar to gamma-hydroxybutyrate (GHB), which is a metabolic product of 1,4 butanediol (BDO).
But other Federal courts have ruled that it is not.
1,4 butanediol (BDO) and its derivatives is used in a broad spectrum of applications in the chemical industry; amongst others in the manufacturing of technical plastics, polyurethanes, solvents, electronic chemicals and elastic fibres.

1,4 butanediol (BDO) is used in the synthesis of epothilones, a new class of cancer drugs. Also used in the stereoselective synthesis of (-)-Brevisamide.
1,4 butanediol (BDO)'s largest use is within tetrahydrofuran (THF) production, used to make polytetramethylene ether glycol, which goes mainly into spandex fibers, urethane elastomers, and copolyester ethers.
1,4 butanediol (BDO) is commonly used as a solvent in the chemical industry to manufacture gamma-butyrolactone and elastic fibers like spandex.

1,4 butanediol (BDO) is used as a cross-linking agent for thermoplastic urethanes, polyester plasticizers, paints and coatings.
1,4 butanediol (BDO) undergoes dehydration in the presence of phosphoric acid yielded teterahydrofuran, which is an important solvent used for various applications.
1,4 butanediol (BDO) acts an intermediate and is used to manufacture polytetramethylene ether glycol (PTMEG), polybutylene terephthalate (PBT) and polyurethane (PU).

1,4 butanediol (BDO) finds application as an industrial cleaner and a glue remover.
1,4 butanediol (BDO) is a solvent with good antimicrobial action.
These plastics find applications in automotive components, electrical connectors, and consumer goods due to their heat resistance and mechanical strength.

1,4 butanediol (BDO) is a critical component in the synthesis of spandex fibers, which are highly elastic and used in textiles and clothing.
Spandex provides stretch and comfort in sportswear, swimwear, and undergarments.
In addition to its role in plastics and adhesives,

1,4 butanediol (BDO) is used in automotive manufacturing for components such as bumpers, dashboards, and interior trims.
1,4 butanediol (BDO)s incorporation into various automotive materials helps improve their strength and durability.
1,4 butanediol (BDO) may be used as a food additive in certain food products.

1,4 butanediol (BDO) can also serve as a carrier for flavors and fragrances due to its neutral odor and taste.
1,4 butanediol (BDO) also serves as a humectant and viscosity controller, and to mask odor.
1,4 butanediol (BDO) is also used as a plasticiser (e.g. in polyesters and cellulosics), as a carrier solvent in printing ink, a cleaning agent, an adhesive (in leather, plastics, polyester laminates and polyurethane footwear), in agricultural and veterinary chemicals and in coatings (in paints, varnishes and films).

1,4 butanediol (BDO) is used in the formulation of industrial cleaning products and degreasers.
1,4 butanediol (BDO) serves as a chemical intermediate in the production of various other chemicals.
In some formulations, 1,4 butanediol (BDO) can be incorporated into lubricants and hydraulic fluids to improve their viscosity and performance characteristics.

Research has explored the use of 1,4 butanediol (BDO) as a component in certain energy storage systems, such as redox flow batteries, due to its ability to store and release energy efficiently.
1,4 butanediol (BDO) can be used in the formulation of certain pesticides and herbicides, as well as in the synthesis of agricultural chemicals.
1,4 butanediol (BDO) is also used in laboratory settings and research applications as a versatile chemical reagent for various experimental and synthesis purposes.

1,4 butanediol (BDO) can be employed as an intermediate in the synthesis of certain pharmaceutical compounds.
In some cosmetic and personal care products, 1,4 butanediol (BDO) may be used as a humectant or moisturizer to help retain moisture in the skin.
1,4 butanediol (BDO) can participate in various chemical reactions, allowing for the synthesis of specialized chemicals for specific applications.

1,4 butanediol (BDO) is used to produce polybutyleneterephthalate, a thermoplastic polyester;and in making tetrahydrofuran, butyrolactones,and polymeric plasticizers.
1,4 butanediol (BDO) is used industrially as a solvent and in the manufacture of some types of plastics, elastic fibers and polyurethanes.
In organic chemistry, 1,4 butanediol (BDO) is used for the synthesis of γ-butyrolactone (GBL).

In the presence of phosphoric acid and high temperature, it dehydrates to the important solvent tetrahydrofuran.
1,4 butanediol (BDO) enhances the preservative activity of parabens.
At about 200 °C in the presence of soluble ruthenium catalysts, the diol undergoes dehydrogenation to form butyrolactone.

It is used to synthesize 1,4 butanediol (BDO) diglycidyl ether which is then used as a reactive diluent for epoxy resins.
In 2013, worldwide production was claimed to be billions of lbs (consistent with approximately one million metric tons).
Almost half of 1,4 butanediol (BDO) is dehydrated to tetrahydrofuran to make fibers such as Spandex.

1,4 butanediol (BDO) and Bio-BDO are commonly used as solvent but also as building block in PBT (Polybutylene terephthalate), COPE (Thermoplastic Copolyester Elastomers), TPU (Thermoplastic Polyurethane), PU (Polyurethane), Resins, PTMEG : Spandex fibres (polyester + diisocyanate) and Copolyester for Hot Melt Adhesive.
1,4 butanediol (BDO) is utilized in the formulation of adhesives and sealants, especially in the automotive and construction industries.

Safety Profile:
1,4 butanediol (BDO) is important to wear appropriate personal protective equipment, such as gloves and safety goggles, when handling BDO to prevent skin or eye contact.
Incompatible with oxidizing materials. When heated to decomposition it emits acrid smoke and fumes.
Safety and Regulation: While 1,4 butanediol (BDO) has many industrial uses.

1,4 butanediol (BDO) is considered a hazardous chemical, and its handling and transportation are subject to regulations and safety precautions.
In addition, 1,4 butanediol (BDO) should not be confused with substances like gamma-hydroxybutyrate (GHB), which is a recreational drug and illegal in many places.
1,4 butanediol (BDO) is essential to handle it with care.

1,4 butanediol (BDO) a human poison by an unspecified route.
Moderately toxic byingestion and intraperitoneal routes.

1,4 butanediol (BDO) has a flash point, which is the lowest temperature at which it can ignite if exposed to an open flame or spark.
Therefore, it should be stored and handled away from open flames, sparks, and other potential ignition sources.
1,4 butanediol (BDO) can cause skin and eye irritation upon direct contact.


1,4-BENZENEDICARBOXYLIC ACID
1,4-benzenedicarboxylic acid is an organic compound with formula C6H4(CO2H)2.
1,4-benzenedicarboxylic acid is a commodity chemical, used principally as a precursor to the polyester PET, used to make clothing and plastic bottles.
1,4-benzenedicarboxylic acid is a high-melting, crystalline material forming very strong fibers.

CAS Number: 100-21-0
EC Number: 202-830-0
Chemical Formula: C6H4-1,4-(COOH)2
Molecular Weight: 166.13

Synonyms: TEREPHTHALIC ACID, 100-21-0, p-Phthalic acid, 1,4-Benzenedicarboxylic acid, benzene-1,4-dicarboxylic acid, p-Dicarboxybenzene, p-Benzenedicarboxylic acid, p-Carboxybenzoic acid, Acide terephtalique, 1,4-dicarboxybenzene, Kyselina tereftalova, WR 16262, TA-33MP, NSC 36973, HSDB 834, p-Phthalate, TA 12, UNII-6S7NKZ40BQ, Kyselina terftalova, Benzene-p-dicarboxylic acid, 6S7NKZ40BQ, CHEBI:15702, MFCD00002558, para-Phthalic acid, Tephthol, DSSTox_CID_6080, DSSTox_RID_78007, DSSTox_GSID_26080, Acide terephtalique, Kyselina tereftalova, CAS-100-21-0, CCRIS 2786, 4-Carboxybenzoic Acid, EINECS 202-830-0, BRN 1909333, terephtalic acid, AI3-16108, P-Phthelate, P-Phthelic acid, UB7, p-Benzenedicarboxylate, terephthalsäure, Benzene-p-dicarboxylate, benzene-1,4-dioic acid, WLN: QVR DVQ, Terephthalic acid, 97%, Terephthalic acid, 98%, EC 202-830-0, SCHEMBL1655, para-benzenedicarboxylic acid, Benzene, p-dicarboxylic acid, 4-09-00-03301 (Beilstein Handbook Reference), BIDD:ER0245, tere-Phthalic Acid (Sublimed), CHEMBL1374420, DTXSID6026080, Benzene, 1,4-Dicarboxylic acid, p-Dicarboxybenzene p-Phthalic acid, BCP06429, NSC36973, STR02759, Tox21_201659, Tox21_303229, NSC-36973, s6251, STL281856, ZINC12358714, Terephthalic acid, analytical standard, AKOS000119464, CS-W010814, HY-W010098, MCULE-9289682931, NCGC00091618-01, NCGC00091618-02, NCGC00091618-03, NCGC00257014-01, NCGC00259208-01, AC-10250, BP-21157, FT-0674866, FT-0773240, T0166, C06337, Terephthalic acid, SAJ special grade, >=98.0%, A852800, AE-562/40217759, Q408984, Terephthalic acid, Vetec(TM) reagent grade, 98%, Z57127536, Kyselina terftalova, RARECHEM AL BO 0011, 1,4-phthalicacid, Ecamsule Related Compound C, United States Pharmacopeia (USP) Reference Standard

Several million tonnes are produced annually.
The common name is derived from the turpentine-producing tree Pistacia terebinthus and phthalic acid.

1,4-benzenedicarboxylic acid is used for the production of polyesters with aliphatic diols as the comonomer.
The polymer is a high-melting, crystalline material forming very strong fibers.

1,4-benzenedicarboxylic acid is an organic compound with formula C6H4(CO2H)2.
This white solid is a commodity chemical, used principally as a precursor to the polyester PET, used to make clothing and plastic bottles.

1,4-benzenedicarboxylic acid is the largest volume synthetic fiber and the production of 1,4-benzenedicarboxylic acid is the largest scale operated process based on a homogeneous catalyst.
More recently the packaging applications (PET, the recyclable copolymer with ethylene glycol) have also gained importance.

1,4-benzenedicarboxylic acid is produced from -xylene by oxidation with oxygen.
The reaction is carried out in acetic acid and the catalyst used is cobalt (or manganese) acetate and bromide.

Phthalic anhydride is made from naphthalene or -xylene by air oxidation over a heterogeneous catalyst.
The main application of phthalic anhydride is in the dialkylesters used as plasticizers (softeners) in PVC.
The alcohols used are, for instance, 2-ethylhexanol obtained from butanal, a hydroformylation product.

1,4-benzenedicarboxylic acid is an industrially important aromatic acid, almost exclusively used as starting material for saturated polyester, mainly poly(ethylene terephthalate) (> 90%).
1,4-benzenedicarboxylic acid is almost entirely made by oxidation of petro-derived p-xylene.

Pathways toward biobased p-xylene or 1,4-benzenedicarboxylic acid mainly focus on carbohydrates such as cellulose or hemicellulose.
Nonetheless, Yan and colleagues were the first to report a three-step process from corn stover lignin to 1,4-benzenedicarboxylic acid.

Starting from depolymerized RCF lignin oil, 1,4-benzenedicarboxylic acid includes (i) a Mo on carbon catalyzed demethoxylation, (ii) a carbonylation of the obtained n-alkylphenol with CO by a homogeneous Pd-catalyst, and finally (iii) an oxidation of the 4-n-propylbenzoic acid to terephathalic acid by a Co-Mn-Br catalyst under O2 pressure.
The demethoxylation was performed on crude lignin oil, which was obtained from corn stover by RCF in methanol over a Ru on carbon catalyst.

The 4-n-alkylphenol yield after demethoxylation, starting from a guaiacyl and syringyl monomer mixture, was 65.7 mol% based on the total monomers (16.1 wt% based on lignin content).
Interestingly, they found that the Mo catalyst also removed para-substituted ester group from phenolic monomers in addition to 1,4-benzenedicarboxylic acid demethoxylation activity.

Next, CO was inserted using carbonylation of 4-n-alkylphenols by a homogeneous Pd catalyst.
To increase reactivity, 4-n-alkylphenol triflates were formed prior to carbonylation.

On average, a 75 mol% yield was obtained for all 4-alkylphenols (methyl, ethyl and n-propyl) toward the 4-alkylbenzoic acid.
Finally, the oxidation yield of 4-alkylbenzoic acid mixture toward 1,4-benzenedicarboxylic acid was 60 mol%.

Remarkably, 1,4-benzenedicarboxylic acid could be obtained from the reaction mixture by simple filtration and washing with water.
Looking at the overall process, the 1,4-benzenedicarboxylic acid yield starting from the lignin oil was 30 mol% and corresponds to 15.5 wt% based on corn stover lignin content.

1,4-benzenedicarboxylic acid is one isomer of the three phthalic acids.
1,4-benzenedicarboxylic acid finds important use as a commodity chemical, principally as a starting compound for the manufacture of polyester (specifically PET), used in clothing and to make plastic bottles.

1,4-benzenedicarboxylic acid is also known as Terephthalic acid, and 1,4-benzenedicarboxylic acid has the chemical formula C6H4(COOH)2.
1,4-benzenedicarboxylic acid has recently become an important component in the development of hybrid framework materials.

1,4-benzenedicarboxylic acid is a benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4.
One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids.

1,4-benzenedicarboxylic acid is a conjugate acid of a terephthalate(1-).
1,4-benzenedicarboxylic acid is one isomer of the three phthalic acids.

1,4-benzenedicarboxylic acid finds important use as a commodity chemical, principally as a starting compound for the manufacture of polyester (specifically PET), used in clothing and to make plastic bottles.
1,4-benzenedicarboxylic acid is also known as Terephthalic acid, and 1,4-benzenedicarboxylic acid has the chemical formula C6H4(COOH)2.

Process for Preparation of 1,4-benzenedicarboxylic acid:
One of the world’s most widely produced polymers, poly(ethylene terephthalate) (PET), is synthesized via condensation polymerization of ethylene glycol with 1,4-benzenedicarboxylic acid and small amounts of isophthalic acid.
Current industrial production of 1,4-benzenedicarboxylic acid and isophthalic acid uses petroleum-derived xylenes as starting materials.

The cost and availability of petroleum varies wildly and unpredictably.
In order to stabilize costs associated with the synthesis of 1,4-benzenedicarboxylic acid and isophthalic acid, alternative feedstocks must be made available.

A reaction sequence has been elaborated that addresses this need.
The starting materials, acrylic acid and isoprene, are reacted in a solvent-free cycloaddition catalyzed by an inexpensive Lewis acid catalyst.

Vapor phase aromatization of the resulting cycloadducts affords para- and meta-toluic acid, which are oxidized to 1,4-benzenedicarboxylic acid and isophthalic acid, respectively.
Both acrylic acid and isoprene are commercially synthesized from petroleum or shale gas but may also be synthesized from biobased feedstocks.

Thus, by diversifying available feedstocks, costs associated with commercial 1,4-benzenedicarboxylic acid and isophthalic acid synthesis are stabilized.
Moreover, this reaction sequence is the only one reported in the literature to produce both 1,4-benzenedicarboxylic acid and isophthalic acid for the manufacture of PET.

Biodegradation of 1,4-benzenedicarboxylic acid:
In Comamonas thiooxydans strain E6, 1,4-benzenedicarboxylic acid is biodegraded by a pathway starting at terephthalate 1,2-dioxygenase into protocatechuic acid, a common natural product.
Combined with the previously known PETase and MHETase, a full pathway for PET plastic degradation can be engineered.

Properties of 1,4-benzenedicarboxylic acid:
1,4-benzenedicarboxylic acid is almost insoluble in water, alcohol and ether; 1,4-benzenedicarboxylic acid sublimes rather than melting when heated.
This insolubility makes 1,4-benzenedicarboxylic acid relatively awkward to work with, and up until around 1970 much crude 1,4-benzenedicarboxylic acid was converted to the dimethyl ester for purification.

Production of 1,4-benzenedicarboxylic acid:
1,4-benzenedicarboxylic acid can be formed in the laboratory by oxidizing para-diderivatives of benzene, or best by oxidizing caraway oil, a mixture of cymene and cuminol, with chromic acid.

On an industrial scale, 1,4-benzenedicarboxylic acid is produced, similar to benzoic acid, by oxidation of p-xylene by oxygen from air.
This is done using acetic acid as solvent, in the presence of a catalyst such as cobalt-manganese, using a bromide promoter.

Alternatively, 1,4-benzenedicarboxylic acid can be made via the Henkel process, which involves the rearrangement of phthalic acid to 1,4-benzenedicarboxylic acid via the corresponding potassium salts.
The 1,4-benzenedicarboxylic acid is and dimethyl terephthalate, in turn, often used as a monomer component in the production of polymers, principally polyethylene terephthalate (polyester or PET).

World production in 1970 was around 1.75 million tonnes.
By 2006, global PTA demand had substantially exceeded 30 million tonnes.

Pharmacology and Biochemistry of 1,4-benzenedicarboxylic acid:

MeSH Pharmacological Classification:

Free Radical Scavengers:
Substances that eliminate free radicals.
Among other effects, they protect PANCREATIC ISLETS against damage by CYTOKINES and prevent myocardial and pulmonary REPERFUSION INJURY.

Metabolism/Metabolites of 1,4-benzenedicarboxylic acid:
A Rhodococcus species was isolated from soil by enriching for growth with dimethyl terephthalate as the sole carbon source.
The organism degraded dimethyl terephthalate by hydrolysis of ester-bonds to free 1,4-benzenedicarboxylic acid which in turn was metabolized through protocatechuate by an ortho-cleavage pathway

Biological Half-Life of 1,4-benzenedicarboxylic acid:
The concentrations of urine 1,4-benzenedicarboxylic acid in rats after single oral administration in dose of 100 mg/kg bw were determined by high pressure liquid chromatography.
The results showed that the first-order kinetics and two-compartment model were noted on the elimination of 1,4-benzenedicarboxylic acid.
The main toxicokinetic parameters were as follows: Ka = 0.51/hr, half-life ka = 0.488 hr, half-life alpha = 2.446 hr, time to peak = 2.160 hr, Ku = 0.143/hr, half-life beta = 31.551 hr, Xu(max) = 10.00 mg.

The pharmacokinetics of (14)C labeled 1,4-benzenedicarboxylic acid were determined in Fischer 344 rats after iv and oral administration.
After iv injection, the plasma concentration-time data were fitted using a 3-compartment pharmacokinetic model.
The avg terminal half-life in rats was 1.2 hr and the average volume of distribution in the terminal phase was 1.3 L/kg.

Human Metabolite Information of 1,4-benzenedicarboxylic acid:

Tissue Locations:
Fibroblasts
Platelet

Clinical Laboratory Methods of 1,4-benzenedicarboxylic acid:
A procedure for the hydrolysis of phthalate esters and metabolites to free phthalic acid, recovery and esterification of the acid, and gas chromatographic quantification on 10% OV 25 on Gas Chroin Z all relative to an internal standard of 4-chlorophthalate was developed.
The measurement limit is 0.5 nmol of total phthalate/mL of urine, and replicates.

The assay is linear between 0.5 and 50 nmol/mL of urine, which spans of phthalate levels found thus far in human urine samples.
The procedure can also be used to detect levels of isophthalate and terephthalate simultaneously with phthalate.

Synthesis of 1,4-benzenedicarboxylic acid:

Amoco process:
In the Amoco process, which is widely adopted worldwide, 1,4-benzenedicarboxylic acid is produced by catalytic oxidation of p-xylene

The process uses a cobalt–manganese–bromide catalyst.
The bromide source can be sodium bromide, hydrogen bromide or tetrabromoethane.

Bromine functions as a regenerative source of free radicals.
Acetic acid is the solvent and compressed air serves as the oxidant.

The combination of bromine and acetic acid is highly corrosive, requiring specialized reactors, such as those lined with titanium.
A mixture of p-xylene, acetic acid, the catalyst system, and compressed air is fed to a reactor.

Mechanism:
The oxidation of p-xylene proceed by a free radical process.
Bromine radicals decompose cobalt and manganese hydroperoxides.

The resulting oxygen-based radicals abstract hydrogen from a methyl group, which have weaker C–H bonds than does the aromatic ring.
Many intermediates have been isolated.

p-xylene is converted to p-toluic acid, which is less reactive than the p-xylene owing to the influence of the electron-withdrawing carboxylic acid group.
Incomplete oxidation produces 4-carboxybenzaldehyde (4-CBA), which is often a problematic impurity.

Challenges:
Approximately 5% of the acetic acid solvent is lost by decomposition or "burning".
Product loss by decarboxylation to benzoic acid is common.

The high temperature diminishes oxygen solubility in an already oxygen-starved system.
Pure oxygen cannot be used in the traditional system due to hazards of flammable organic–O2 mixtures.

Atmospheric air can be used in 1,4-benzenedicarboxylic acid place, but once reacted needs to be purified of toxins and ozone depleters such as methylbromide before being released.
Additionally, the corrosive nature of bromides at high temperatures requires the reaction be run in expensive titanium reactors.

Alternative reaction media:
The use of carbon dioxide overcomes many of the problems with the original industrial process.
Because CO2 is a better flame inhibitor than N2, a CO2 environment allows for the use of pure oxygen directly, instead of air, with reduced flammability hazards.

The solubility of molecular oxygen in solution is also enhanced in the CO2 environment.
Because more oxygen is available to the system, supercritical carbon dioxide (Tc = 31 °C) has more complete oxidation with fewer byproducts, lower carbon monoxide production, less decarboxylation and higher purity than the commercial process.

In supercritical water medium, the oxidation can be effectively catalyzed by MnBr2 with pure O2 in a medium-high temperature.
Use of supercritical water instead of acetic acid as a solvent diminishes environmental impact and offers a cost advantage.
However, the scope of such reaction systems is limited by the even harsher conditions than the industrial process (300−400 °C, >200 bar).

Promotors and additives:
As with any large-scale process, many additives have been investigated for potential beneficial effects.
Promising results have been reported with the following.

Ketones act as promoters for formation of the active cobalt(III) catalyst.
In particular, ketones with a-methylene groups oxidize to hydroperoxides that are known to oxidize cobalt(II).

Butanone is often used.
Zirconium salts enhance the activity of Co-Mn-Br catalysts.

Selectivity is also improved.
N-Hydroxyphthalimide is a potential replacement for bromide, which is highly corrosive.

The phthalimide functions by formation of the oxyl radical.
Guanidine inhibits the oxidation of the first methyl but enhances the usually slow oxidation of the toluic acid.

Alternative routes:
1,4-benzenedicarboxylic acid can be prepared in the laboratory by oxidizing many para-disubstituted derivatives of benzene, including caraway oil or a mixture of cymene and cuminol with chromic acid.

Although not commercially significant is the so-called "Henkel process" or "Raecke process", named after the company and patent holder, respectively.
This process involves the transfer of carboxylate groups.
For example potassium benzoate disproportionates to potassium terephthalate and potassium phthalate rearranges to potassium terephthalate.

Lummus (now a subsidiary of McDermott International) has reported a route from the dinitrile, which can be obtained by ammoxidation of p-xylene.

Uses of 1,4-benzenedicarboxylic acid:
1,4-benzenedicarboxylic acid is used in wool processing and making plastic films and sheets.
Also added to poultry feeds and to certain antibiotics to increase their effectiveness.

Industrial Processes with risk of exposure:
Textiles (Fiber & Fabric Manufacturing)
Farming (Feed Additives)

1,4-benzenedicarboxylic acid is used almost exclusively to produce saturated polyesters.
Production of linear, crystalline polyester resins, fibers, and films by combination with glycols; reagent for alkali in wool; additive to poultry feeds.

Forms polyesters with glycols which are made into plastic films & sheets; used in analytical chemistry.
1,4-benzenedicarboxylic acid is an intermediate in the production of oligomeric 1,4-benzenedicarboxylic acid esters.

Industry Uses of 1,4-benzenedicarboxylic acid:
Adhesives and sealant chemicals
Intermediates
Investment casting waxes
Lubricants and lubricant additives
Paint additives and coating additives not described by other categories
Plasticizers
Reactant in polymerization process
Solvents (which become part of product formulation or mixture)
monomer for polyester based composites
polyester for composite manufacture
polyester for composite part manufacture

Consumer Uses of 1,4-benzenedicarboxylic acid:
Building/construction materials not covered elsewhere
Food packaging
Intermediates
Investment casting waxes.
Paints and coatings
Plastic and rubber products not covered elsewhere

Methods of Manufacturing of 1,4-benzenedicarboxylic acid:
p-Xylene is the feedstock for all 1,4-benzenedicarboxylic acid production.
Oxidation catalysts and conditions have been developed which give nearly quantitative oxidation of the methyl groups, leaving the benzene ring virtually untouched.

These catalysts are combinations of cobalt, manganese, and bromine, or cobalt with a co-oxidant, e.g., acetaldehyde.
Oxygen is the oxidant in all processes.

Acetic acid is the reaction solvent in all but one process.
Given these constant factors, there is only one industrial oxidation process, with different variations, two separate purification processes, and one process which intermixes oxidation and esterification steps.

Produced commercially primarily by the Amoco process.
Inhibition of the oxidation of the second methyl group of p-xylene is suppressed with the aid of added bromine-containing promoters as cocatalysts.
The oxidation takes place in air and produces raw 1,4-benzenedicarboxylic acid, which is dissolved at high temperature under pressure in water, hydrated, and thus purified.

Prepared by oxidation of p-methylacetophenone.

(1) Oxidation of para-xylene or of mixed xylenes and other alkyl aromatics (phthalic anhydride); (2) reacting benzene and potassium carbonate over a cadmium catalyst.
Reacting carbon monoxide or methanol with toluene to form various intermediates which, upon oxidation, form 1,4-benzenedicarboxylic acid.

General Manufacturing Information of 1,4-benzenedicarboxylic acid:

Industry Processing Sectors:
Adhesive manufacturing
All other basic organic chemical manufacturing
All other chemical product and preparation manufacturing
Construction
Paint and coating manufacturing
Plastic material and resin manufacturing
Plastics product manufacturing
Textiles, apparel, and leather manufacturing

Applications of 1,4-benzenedicarboxylic acid:
1,4-benzenedicarboxylic acid can be synthesized from bio-based materials for a variety of applications, which include the production of polyester fiber, non-fiber field, PET bottles, synthetic perfumes and medicines.
1,4-benzenedicarboxylic acid is used as a linker molecule in the preparation of metal organic frameworks (MOFs).

Virtually the entire world's supply of 1,4-benzenedicarboxylic acid and dimethyl terephthalate are consumed as precursors to polyethylene terephthalate (PET).
World production in 1970 was around 1.75 million tonnes.

By 2006, global purified 1,4-benzenedicarboxylic acid (PTA) demand had exceeded 30 million tonnes.
A smaller, but nevertheless significant, demand for 1,4-benzenedicarboxylic acid exists in the production of polybutylene terephthalate and several other engineering polymers.

Other uses of 1,4-benzenedicarboxylic acid:
Polyester fibers based on PTA provide easy fabric care, both alone and in blends with natural and other synthetic fibers.
Polyester films are used widely in audio and video recording tapes, data storage tapes, photographic films, labels and other sheet material requiring both dimensional stability and toughness.

1,4-benzenedicarboxylic acid is used in paint as a carrier.
1,4-benzenedicarboxylic acid is used as a raw material to make terephthalate plasticizers such as dioctyl terephthalate and dibutyl terephthalate.

1,4-benzenedicarboxylic acid is used in the pharmaceutical industry as a raw material for certain drugs.
In addition to these end uses, 1,4-benzenedicarboxylic acid based polyesters and polyamides are also used in hot melt adhesives.

PTA is an important raw material for lower molecular weight saturated polyesters for powder and water-soluble coatings.
In the research laboratory, 1,4-benzenedicarboxylic acid has been popularized as a component for the synthesis of metal-organic frameworks.

The analgesic drug oxycodone occasionally comes as a terephthalate salt; however, the more usual salt of oxycodone is the hydrochloride.
Pharmacologically, one milligram of terephthalas oxycodonae is equivalent to 1.13 mg of hydrochloridum oxycodonae.
1,4-benzenedicarboxylic acid is used as a filler in some military smoke grenades, most notably the American M83 smoke grenade and M90 vehicle-employed smoke grenade, producing a thick white smoke that acts as an obscurant in the visual and near-infrared spectrum when burned.

History of 1,4-benzenedicarboxylic acid:
1,4-benzenedicarboxylic acid was first isolated (from turpentine) by the French chemist Amédée Cailliot (1805–1884) in 1846.
1,4-benzenedicarboxylic acid became industrially important after World War II.

1,4-benzenedicarboxylic acid was produced by oxidation of p-xylene with dilute nitric acid.
Air oxidation of p-xylene gives p-toluic acid, which resists further air-oxidation.

Conversion of p-toluic acid to methyl p-toluate (CH3C6H4CO2CH3) opens the way for further oxidation to monomethyl terephthalate, which is further esterified to dimethyl terephthalate.
In 1955, Mid-Century Corporation and ICI announced the bromide-promoted oxidation of p-toluic acid to teraphthalic acid.

This innovation enabled the conversion of p-xylene to 1,4-benzenedicarboxylic acid without the need to isolate intermediates.
Amoco (as Standard Oil of Indiana) purchased the Mid-Century/ICI technology.

Reactivity Profile of 1,4-benzenedicarboxylic acid:
1,4-benzenedicarboxylic acid is a carboxylic acid.
1,4-benzenedicarboxylic acid donates hydrogen ions if a base is present to accept them.

This "neutralization" generates substantial amounts of heat and produces water plus a salt.
Insoluble in water but even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in 1,4-benzenedicarboxylic acid to corrode or dissolve iron, steel, and aluminum parts and containers.

May react with cyanide salts to generate gaseous hydrogen cyanide.
Will react with solutions of cyanides to cause the release of gaseous hydrogen cyanide.

Flammable and/or toxic gases and heat are generated by reaction with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides.
React with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat.

Reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat.
Can be oxidized by strong oxidizing agents and reduced by strong reducing agents.

These reactions generate heat.
May initiate polymerization reactions; may catalyze (increase the rate of) chemical reactions.

Handling and Storage of 1,4-benzenedicarboxylic acid:

Nonfire Spill Response:
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container.
Use absorbent paper dampened with ethanol to pick up any remaining material.

Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal.
Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution.
Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

STORAGE PRECAUTIONS: You should store this material in a refrigerator.

Safe Storage of 1,4-benzenedicarboxylic acid:
Separated from strong oxidants.

Storage Conditions of 1,4-benzenedicarboxylic acid:
Store in detached units of noncombustible construction.

Regulatory Information of 1,4-benzenedicarboxylic acid:

Atmospheric Standards of 1,4-benzenedicarboxylic acid:
This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI).
The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements.
1,4-benzenedicarboxylic acid is produced, as an intermediate or a final product, by process units covered under this subpart.

First Aid of 1,4-benzenedicarboxylic acid:

EYES:
First check the victim for contact lenses and remove if present.
Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center.

Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician.
IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

SKIN:
IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing.
Gently wash all affected skin areas thoroughly with soap and water.
If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.

INHALATION:
IMMEDIATELY leave the contaminated area; take deep breaths of fresh air.
If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital.

Provide proper respiratory protection to rescuers entering an unknown atmosphere.
Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.

INGESTION:
DO NOT INDUCE VOMITING.
If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center.

Be prepared to transport the victim to a hospital if advised by a physician.
If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body.

DO NOT INDUCE VOMITING.
IMMEDIATELY transport the victim to a hospital.

Fire Fighting of 1,4-benzenedicarboxylic acid:
Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher.

Accidental Release Measures of 1,4-benzenedicarboxylic acid:

Spillage Disposal of 1,4-benzenedicarboxylic acid:

Personal protection:
Particulate filter respirator adapted to the airborne concentration of the substance.
Sweep spilled substance into covered containers.

If appropriate, moisten first to prevent dusting.
Carefully collect remainder.
Then store and dispose of according to local regulations.

Cleanup Methods of 1,4-benzenedicarboxylic acid:
Remove all ignition sources.
Collect powdered material in the most convenient and safe manner and deposit in sealed containers.
Ventilate area after clean up is complete.

Disposal Methods of 1,4-benzenedicarboxylic acid:
The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.
Recycle any unused portion of the material for 1,4-benzenedicarboxylic acid approved use or return 1,4-benzenedicarboxylic acid to the manufacturer or supplier.

After material has been contained, scoop up contaminated soil and place in impervious containers.
Material may be disposed of in an approved chemical incinerator.

If facilities are not available, material may be disposed of in an approved waste chemical landfill.
When dilute, amenable to biological treatment at a municipal sewage treatment plant.

Preventive Measures of 1,4-benzenedicarboxylic acid:
The scientific literature for the use of contact lenses by industrial workers is inconsistent.
The benefits or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses.

However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye.
In those specific cases, contact lenses should not be worn.

In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing.

Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers.
Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.

Identifiers of 1,4-benzenedicarboxylic acid:
CAS Number: 100-21-0
3DMet: B00943
Beilstein Reference: 1909333
ChEBI: CHEBI:15702
ChEMBL: ChEMBL1374420
ChemSpider: 7208
ECHA InfoCard: 100.002.573
EC Number: 202-830-0
Gmelin Reference: 50561
KEGG: C06337
PubChem CID: 7489
RTECS number: WZ0875000
UNII: 6S7NKZ40BQ
CompTox Dashboard (EPA): DTXSID6026080
InChI:
InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12) check
Key: KKEYFWRCBNTPAC-UHFFFAOYSA-N check
InChI=1/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
Key: KKEYFWRCBNTPAC-UHFFFAOYAF
SMILES: O=C(O)c1ccc(C(O)=O)cc1

Properties of 1,4-benzenedicarboxylic acid:
Chemical formula: C8H6O4
Molar mass: 166.132 g·mol−1
Appearance: White crystals or powder
Density: 1.522 g/cm3
Melting point: 427 °C (801 °F; 700 K) in a sealed tube. Sublimes at standard atmospheric pressure.
Boiling point: Decomposes
Solubility in water: 0.0015 g/100 mL at 20 °C
Solubility: polar organic solvents aqueous base
Acidity (pKa): 3.51, 4.82
Magnetic susceptibility (χ): −83.51×10−6 cm3/mol

Molecular Weight: 166.13
XLogP3: 2
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Rotatable Bond Count: 2
Exact Mass: 166.02660867
Monoisotopic Mass: 166.02660867
Topological Polar Surface Area: 74.6 Ų
Heavy Atom Count : 12
Complexity: 169
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Vapor pressure: Quality Level: 100
Assay: 98%
Form: powder
Autoignition temp.: 925 °F
mp: >300 °C (lit.)
Solubility: water: ~0.017 g/L at 25 °C
Density: 1.58 g/cm3 at 25 °C
Greener alternative category: Enabling
SMILES string: OC(=O)c1ccc(cc1)C(O)=O
InChI: 1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChI key: KKEYFWRCBNTPAC-UHFFFAOYSA-N

Structure of 1,4-benzenedicarboxylic acid:
Dipole moment: 2.6D

Thermochemistry of 1,4-benzenedicarboxylic acid:
Std enthalpy of formation (ΔfH⦵298): 232 kJ/m

Related compounds of 1,4-benzenedicarboxylic acid:
p-Xylene
Polyethylene terephthalate
Dimethyl terephthalate

Related carboxylic acids:
Phthalic acid
Isophthalic acid
Benzoic acid
p-Toluic acid

Names of 1,4-benzenedicarboxylic acid:

Preferred IUPAC name:
Benzene-1,4-dicarboxylic acid

Other names:
1,4-benzenedicarboxylic acid
para-Phthalic acid
TPA
PTA
BDC
1,4-BENZOQUINONE
1,4-Benzoquinone exists as a large yellow, monoclinic prism with an irritating odour resembling that of chlorine.
1,4-Benzoquinone is extensively used as a chemical intermediate, a polymerisation inhibitor, an oxidising agent, a photographic chemical, a tanning agent, and a chemical reagent.
1,4-Benzoquinone was first produced commercially in 1919 and has since been manufactured in several European countries.

CAS: 106-51-4
MF: C6H4O2
MW: 108.09
EINECS: 203-405-2

Synonyms
1,4-Benzochinon;1,4-Benzoquine;1,4-Cyclohexadiene dioxide;1,4-Cyclohexadienedione;p-Benzochinon;pbq2;p-Chinon;quinone(p-benzoquinone);p-benzoquinone;1,4-BENZOQUINONE;Benzoquinone;Quinone;106-51-4;p-Quinone;cyclohexa-2,5-diene-1,4-dione;para-Benzoquinone;Chinone;2,5-Cyclohexadiene-1,4-dione;para-Quinone;Cyclohexadienedione;1,4-Benzoquine;1,4-Cyclohexadienedione;1,4-Dioxybenzene;Steara pbq;p-Chinon;Benzo-chinon;Benzo-1,4-quinone;1,4-Diossibenzene;Chinon;1,4-Dioxy-benzol;1,4-Cyclohexadiene dioxide;Semiquinone anion;semiquinone radicals;RCRA waste number U197;NCI-C55845;USAF P-220;Cyclohexadiene-1,4-dione;1,4-Benzochinon;NSC 36324;[1,4]benzoquinone;CHEBI:16509;Quinone1,4-Benzoquinone;MFCD00001591;NSC-36324;CHEMBL8320;DTXSID6020145;3T006GV98U;3225-29-4;1,4-Benzoquinone, 99%;DTXCID40145;p-Chinon [German];Benzo-chinon [German];Caswell No. 719C;1,4-Benzoquinone; SKF-21232;Chinon [Dutch, German];1,4 benzoquinone;CAS-106-51-4;1,4-Dioxy-benzol [German];CCRIS 933;1,4-Diossibenzene [Italian];HSDB 1111;EINECS 203-405-2;UN2587;RCRA waste no. U197;EPA Pesticide Chemical Code 059805;parabenzochinon;UNII-3T006GV98U;p-benzo-quinone;AI3-09068;C6H4O2;Quinone; p-BQ;NSC36324;2,4-dione;p-BQ;Benzo-1,4-quinone #;QUINONE [MI];Lopac-B-1266;QUINONE [WHO-DD];Benzoquinone [UN2587];Epitope ID:116219;WLN: L6V DVJ;Chinon(DUTCH, GERMAN);EC 203-405-2;cid_4650;PARA-QUINONE [IARC];Lopac0_000120;SCHEMBL18103;MLS002454445;GTPL6307;2,5-cyclohexadiene-1-4-dione;BDBM22774;1,4-BENZOQUINONE [HSDB];HMS2230N13;HMS3260G22;AMY21949;1,4-BENZOQUINONE [USP-RS];Tox21_202020;Tox21_302970;Tox21_500120;Benzoquinone [UN2587] [Poison];c0261;AKOS000119965;AKOS025243267;CCG-204215;LP00120;SDCCGSBI-0050108.P002;UN 2587;p-Benzoquinone, reagent grade, >=98%;NCGC00015139-01;NCGC00015139-02;NCGC00015139-03;NCGC00015139-04;NCGC00015139-05;NCGC00015139-06;NCGC00015139-07;NCGC00015139-10;NCGC00091053-01;NCGC00091053-02
;NCGC00091053-03;NCGC00256505-01;NCGC00259569-01;NCGC00260805-01;SMR000326659;VS-02448;B0089;B0887;EU-0100120;NS00003185;EN300-19699;B 1266;C00472;2,5-Cyclohexadiene-1,4-dione, radical ion(1-);A801452;Q402719;SR-01000075705;J-503966;SR-01000075705-1;Z104474802;InChI=1/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4;1,4-Benzoquinone, pharmaceutical secondary standard; traceable to USP;1,4-Benzoquinone, United States Pharmacopeia (USP) Reference Standard;cyclohexa-2,5-diene-1,4-dione; QUINONE RING OF THE PLASTOQUINONE 9;1,4-Benzoquinone, Pharmaceutical Secondary Standard; Certified Reference Material

1,4-Benzoquinone's major use is in hydroquinone production, but it is also used as a polymerisation inhibitor and as an intermediate in the production of a variety of substances, including rubber accelerators and oxidising agents.
1,4-Benzoquinone is used in the dye, textile, chemical, tanning, and cosmetic industries.
In chemical synthesis for hydroquinone and other chemicals, quinone is used as an intermediate.
1,4-Benzoquinone is also used in the manufacturing industries and chemical laboratory associated with protein fibre, photographic film, hydrogen peroxide, and gelatin making.
Occupational exposure to 1,4-Benzoquinone may occur in the dye, textile, chemical, tanning, and cosmetic industries.
Inhalation exposure to 1,4-Benzoquinone may occur from tobacco smoke.
1,4-Benzoquinone is the simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone.
1,4-Benzoquinone is a metabolite of benzene.

1,4-Benzoquinone has a role as a cofactor, a human xenobiotic metabolite and a mouse metabolite.
1,4-Benzoquinonee appears as a yellowish-colored crystalline solid with a pungent, irritating odor.
Poisonous by ingestion or inhalation of vapors.
May severely damage skin, eyes and mucous membranes.
Used to make dyes and as a photographic chemical.
1,4-Benzoquinone acts as an oxidizing agent.
Soluble in water and denser than water.
If moist 1,4-Benzoquinone may decompose spontaneously above 140°F.
1,4-Benzoquinone has occurred in drums, causing over-pressurization.

1,4-Benzoquinone, commonly known as para-quinone, is a chemical compound with the formula C6H4O2. In a pure state, 1,4-Benzoquinone forms bright-yellow crystals with a characteristic irritating odor, resembling that of chlorine, bleach, and hot plastic or formaldehyde.
This six-membered ring compound is the oxidized derivative of 1,4-hydroquinone.
The molecule is multifunctional: 1,4-Benzoquinone exhibits properties of a ketone, being able to form oximes; an oxidant, forming the dihydroxy derivative; and an alkene, undergoing addition reactions, especially those typical for α,β-unsaturated ketones.
1,4-Benzoquinone is sensitive toward both strong mineral acids and alkali, which cause condensation and decomposition of the compound.

1,4-Benzoquinone Chemical Properties
Melting point: 113-115 °C(lit.)
Boiling point: 293°C
Density: 1.31
Vapor density: 3.73 (vs air)
Capor pressure: 0.1 mm Hg ( 25 °C)
Refractive index: n20/D 1.453
Fp: 38°C
Storage temp.: room temp
Solubility: 10g/l
Form: Powder
pka: 7.7
Color: Yellow to green
PH: 4 (1g/l, H2O, 20℃)
Odor: irritant odor
Water Solubility: 10 g/L (25 ºC)
Merck: 14,8074
BRN: 773967
Exposure limits: TLV-TWA 0.4 mg/m3 (0.1 ppm); STEL 1.2 mg/m3 (0.3 ppm) (ACGIH); IDLH 75 ppm (NIOSH).
Stability: Stable, but light sensitive. Incompatible with strong oxidizing agents. Flammable.
InChIKey: AZQWKYJCGOJGHM-UHFFFAOYSA-N
LogP: 0.1-0.3 at 23℃ and pH4.8-5.3
CAS DataBase Reference: 106-51-4(CAS DataBase Reference)
NIST Chemistry Reference: p-Benzoquinone(106-51-4)
IARC: 3 (Vol. 15, Sup 7, 71) 1999
EPA Substance Registry System: 1,4-Benzoquinone (106-51-4)

1,4-Benzoquinone is a yellow, crystalline material or large yellow, monoclinic prisms.
Pungent, irritating odor.
1,4-Benzoquinone or p-benzoquinone is the basic structure of quinonoid compounds.
They are widely distributed in the natural world, being found in bacteria, plants and arthropods and hence quinones are ubiquitous to living systems.
1,4-Benzoquinone play pivotal role in biological functions including oxidative phosphorylation and electron transfer.
Light yellow crystals with an acrid odor resembling chlorine.
Odor threshold concentration is 84 ppb.

Reactions
1,4-Benzoquinone and its derivatives are extensively used in Diels-Alder reactions.
A facile tautomerization of alkyl substituted 1,4-benzoquinone to o-quinone methide is the highlight of this cycloaddition.
Diels-Alder reaction of 1,4-benzoquinone with thiophene dioxide by Kang et al.
1,4-Benzoquinone is a planar molecule with localized, alternating C=C, C=O, and C–C bonds.
Reduction gives the semiquinone anion C6H4O2−}, which adopts a more delocalized structure.
Further reduction coupled to protonation gives the hydroquinone, wherein the C6 ring is fully delocalized.

Reactions and applications
1,4-Benzoquinone is mainly used as a precursor to hydroquinone, which is used in photography and rubber manufacture as a reducing agent and antioxidant.
1,4-Benzoquinone is a skeletal muscle relaxant, ganglion blocking agent that is made from benzoquinone.

Organic synthesis
1,4-Benzoquinone is used as a hydrogen acceptor and oxidant in organic synthesis.
1,4-Benzoquinone serves as a dehydrogenation reagent.
1,4-Benzoquinone is also used as a dienophile in Diels Alder reactions.
1,4-Benzoquinone reacts with acetic anhydride and sulfuric acid to give the triacetate of hydroxyquinol.
This reaction is called the Thiele reaction or Thiele–Winter reaction after Johannes Thiele, who first described 1,4-Benzoquinone in 1898, and after Ernst Winter, who further described its reaction mechanism in 1900.

An application is found in this step of the total synthesis of Metachromin A:
Benzoquinone is also used to suppress double-bond migration during olefin metathesis reactions.
An acidic potassium iodide solution reduces a solution of benzoquinone to hydroquinone, which can be reoxidized back to the quinone with a solution of silver nitrate.

Due to its ability to function as an oxidizer, 1,4-benzoquinone can be found in methods using the Wacker-Tsuji oxidation, wherein a palladium salt catalyzes the conversion of an alkene to a ketone.
This reaction is typically carried out using pressurized oxygen as the oxidizer, but benzoquinone can sometimes preferred.
1,4-Benzoquinone is also used as a reagent in some variants on Wacker oxidations.
1,4-Benzoquinone is used in the synthesis of Bromadol and related analogs.

Uses
1,4-Benzoquinone is used in the manufacture of dyes, fungicide, and hydroquinone; for tanning hides; as an oxidizing agent; in photography; making gelatin insoluble; strengthening animal fibers and as reagent.
p-Benzoquinone is used as a dienophile in Diels-Alder cycloadditions to prepare naphthoquinones and 1,4-phenanthrenediones.
1,4-Benzoquinone acts as a dehydrogenation reagent and an oxidizer in synthetic organic chemistry.

In the Thiele-Winter reaction, 1,4-Benzoquinone is involved in the preparation of triacetate of hydroxyquinol by reacting with acetic anhydride and sulfuric acid.
1,4-Benzoquinone is also used in the synthesis of bromadol and to suppress double- bond migration during olefin metathesis reactions.
1,4-Benzoquinone is used as a precursor to hydroquinone which finds application in photography and as a reducing agent and an antioxidant in rubber production.

Production Methods
1,4-Benzoquinone was produced as early as 1838 by oxidation of quinic acid with manganese dioxide.
1,4-Benzoquinone can be prepared by oxidation starting with aniline or by the oxidation of hydroquinone with bromic acid.
More recently, 1,4-Benzoquinone has been made biosynthetically from D-glucose.

Preparation
1,4-Benzoquinone is prepared industrially by oxidation of hydroquinone, which can be obtained by several routes.
One route involves oxidation of diisopropylbenzene and the Hock rearrangement.
The net reaction can be represented as follows:
C6H4(CHMe2)2 + 3 O2 → C6H4O2 + 2 OCMe2 + H2O
The reaction proceeds via the bis(hydroperoxide) and the hydroquinone.
Acetone is a coproduct.
Another major process involves the direct hydroxylation of phenol by acidic hydrogen peroxide: C6H5OH + H2O2 → C6H4(OH)2 + H2O Both hydroquinone and catechol are produced.
Subsequent oxidation of the hydroquinone gives the quinone.
1,4-Benzoquinone was originally prepared industrially by oxidation of aniline, for example by manganese dioxide.

This method is mainly practiced in PRC where environmental regulations are more relaxed.
Oxidation of hydroquinone is facile.
One such method makes use of hydrogen peroxide as the oxidizer and iodine or an iodine salt as a catalyst for the oxidation occurring in a polar solvent; e.g. isopropyl alcohol.
When heated to near its melting point, 1,4-benzoquinone sublimes, even at atmospheric pressure, allowing for an effective purification.
Impure samples are often dark-colored due to the presence of quinhydrone, a dark green 1:1 charge-transfer complex of quinone with hydroquinone.

Purification Methods
Purify p-benzoquinone in one or more of the following ways: steam distillation followed by filtration and drying (e.g. in a desiccator over CaCl2), crystallisation from pet ether (b 80-100o), benzene (with, then without, charcoal), water or 95% EtOH, sublimation under vacuum (e.g. from room temperature to liquid N2).
1,4-Benzoquinone slowly decomposes and should be stored, refrigerated, in an evacuated or sealed glass vessel in the dark.
1,4-Benzoquinone should be resublimed before use.

Health Hazard
1,4-Benzoquinone is moderately toxic viaingestion and skin contact.
1,4-Benzoquinone is a mutagen andmay cause cancer. Because of its low vaporpressure, 0.1 torr (at 25°C 77°F), the healthhazard due to inhalation of its vapor is low.
However, prolonged exposure may produceeye irritation, and its contact with the eyes can injure the cornea.
Contact with the skincan lead to irritation, ulceration, and necrosis.
The toxicity of 1,4-Benzoquinone is similarto that of hydroquinone and benzenetriol.

Repeated intraperitoneal administration of2 mg/kg/day to rats for 6 weeks produced significantdecreases in red blood cell, bone marrowcounts, and hemoglobin content.
In addition, relative changes inorgan weights and injuries to the liver, thymus,kidney, and spleen were observed.
Lauet al. (1988) investigated the correlation oftoxicity with increased glutathione substitutionin 1,4-benzoquinone.
With the exceptionof the fully substituted isomer, increased substitutionresulted in enhanced nephrotoxicity.
Although the conjugates were more stable tooxidation, the toxicity increased.
1,4-BUTANEDIOIC ACID (SUCCINIC ACID)
DESCRIPTION:

1,4-butanedioic Acid (Succinic Acid) is a dicarboxylic acid with the chemical formula (CH2)2(CO2H)2.
In living organisms, succinic acid takes the form of an anion, succinate, which has multiple biological roles as a metabolic intermediate being converted into fumarate by the enzyme succinate dehydrogenase in complex 2 of the electron transport chain which is involved in making ATP, and as a signaling molecule reflecting the cellular metabolic state.



CAS Number, 110-15-6
European Community (EC) Number: 203-740-4
Molecular Formula: C4H6O4

SYNONYMS OF 1,4-BUTANEDIOIC ACID (SUCCINIC ACID):
1,2 Ethanedicarboxylic Acid,1,2-Ethanedicarboxylic Acid,1,4 Butanedioic Acid,1,4-Butanedioic Acid,Ammonium Succinate,Butanedioic Acid,Potassium Succinate,Succinate,Succinate, Ammonium,Succinate, Potassium,Succinic Acid,succinic acid,butanedioic acid,110-15-6,Amber acid,Asuccin,Wormwood acid,Dihydrofumaric acid,Katasuccin,Bernsteinsaure,1,2-Ethanedicarboxylic acid,ethylenesuccinic acid,1,4-Butanedioic acid,Wormwood,Succinicum acidum,Butandisaeure,Acidum succinicum,Butanedionic acid,Kyselina jantarova,Butane diacid,Ethylene dicarboxylic acid,acide succinique,Bernsteinsaure [German],Bernsteinsaeure,Kyselina jantarova [Czech],HSDB 791,acide butanedioique,NSC 106449,UNII-AB6MNQ6J6L,AB6MNQ6J6L,AI3-06297,EINECS 203-740-4,MFCD00002789,succ,NSC-106449,BRN 1754069,DTXSID6023602,E363,FEMA NO. 4719,CHEBI:15741,Butanedioic acid-13C4,HOOC-CH2-CH2-COOH,Butanedioic acid-1,4-13C2,DTXCID303602,EC 203-740-4,4-02-00-01908 (Beilstein Handbook Reference),NSC25949,SuccinicAcid(IndustrialGrade&FoodGrade),NCGC00159372-02,NCGC00159372-04,Succinellite,Sal succini,WLN: QV2VQ,SUCCINIC ACID (II),SUCCINIC ACID [II],SIN,SUCCINIC ACID (MART.),SUCCINIC ACID [MART.],Succinic Acid; Butanedioic acid,Ethylene succinic acid,Ethanedicarboxylic acid,butandisaure,succinic-acid,SUCCINIC ACID (USP IMPURITY),SUCCINIC ACID [USP IMPURITY],succinate, 9,CAS-110-15-6,ADIPIC ACID IMPURITY B (EP IMPURITY),ADIPIC ACID IMPURITY B [EP IMPURITY],Succinic acid [NF],Succinic acid (8CI),1,4 Butanedioic Acid,Butanedioic acid (9CI),1,2 Ethanedicarboxylic Acid,Dihydrofumarate,Succinicate,Butanedioic acid diammonium salt,1cze,1,4-Butanedioate,Succinic acid, 6,Succinic acid, FCC,Succinic Acide,(S),1,4-Butandioic Acid,Succinic acid, 99%,Succinic acid, natural,4lh2,1,2-Ethanedicarboxylate,suc,Succinic acid, ACS grade,bmse000183,bmse000968,CHEMBL576,SUCCINIC ACID [MI],SUCCINIC ACID [FCC],A 12084,SUCCINIC ACID [HSDB],SUCCINIC ACID [INCI],SUCCINIC ACID [VANDF],GTPL3637,SUCCINIC ACID [USP-RS],SUCCINIC ACID [WHO-DD],SUCCINICUM ACIDUM [HPUS],BDBM26121,Succinic acid (Butanedioic acid),HMS3885O04,HY-N0420,STR02803,Tox21_111612,Tox21_201918,Tox21_303247,LMFA01170043,NSC-25949,NSC106449,s3791,Succinic acid, >=99%, FCC, FG,Succinic acid, BioXtra, >=99.0%,AKOS000118899,Tox21_111612_1,CCG-266069,DB00139,NCGC00159372-03,NCGC00159372-05,NCGC00159372-06,NCGC00257092-01,NCGC00259467-01,Succinic acid, ACS reagent, >=99.0%,BP-21128,Succinic acid, ReagentPlus(R), >=99.0%,CS-0008946,FT-0652509,FT-0773657,S0100,Succinic acid, p.a., ACS reagent, 99.0%,Succinic acid, SAJ first grade, >=99.0%,EN300-17990,Succinic acid, purum p.a., >=99.0% (T),Succinic acid, SAJ special grade, >=99.5%,1,4-BUTANEDIOIC ACID (SUCCINIC ACID),C00042,D85169,Succinic acid, Vetec(TM) reagent grade, 98%,AB01332192-0,Q213050,SR-01000944556,J-002386,SR-01000944556-2,Z57127453,F2191-0239,37E8FFFB-70DA-4399-B724-476BD8715EF0,Succinic acid, certified reference material, TraceCERT(R),Succinic acid, puriss. p.a., ACS reagent, >=99.5% (T),Succinic acid, United States Pharmacopeia (USP) Reference Standard,InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8,Succinic acid, matrix substance for MALDI-MS, >=99.5% (T), Ultra pure,Succinic acid, anhydrous, free-flowing, Redi-Dri(TM), ACS reagent, >=99.0%,Succinic acid, BioReagent, suitable for cell culture, suitable for insect cell culture,Succinic Acid, Pharmaceutical Secondary Standard; Certified Reference Material,26776-24-9



1,4-butanedioic Acid (Succinic Acid) also known as butanedionic acid or succinate, belongs to the class of organic compounds known as dicarboxylic acids and derivatives.
These are organic compounds containing exactly two carboxylic acid groups.
1,4-butanedioic Acid (Succinic Acid) exists in all living species, ranging from bacteria to plants to humans.

1,4-butanedioic Acid (Succinic Acid) appears as white crystals or shiny white odorless crystalline powder. pH of 0.1 molar solution: 2.7. Very acid taste.
1,4-butanedioic Acid (Succinic Acid) is an alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group.
1,4-butanedioic Acid (Succinic Acid) is an intermediate metabolite in the citric acid cycle.

1,4-butanedioic Acid (Succinic Acid) has a role as a nutraceutical, a radiation protective agent, an anti-ulcer drug, a micronutrient and a fundamental metabolite.
1,4-butanedioic Acid (Succinic Acid) is an alpha,omega-dicarboxylic acid and a C4-dicarboxylic acid.
1,4-butanedioic Acid (Succinic Acid) is a conjugate acid of a succinate(1-).

A water-soluble, colorless crystal with an acid taste that is used as a chemical intermediate, in medicine, the manufacture of lacquers, and to make perfume esters.
1,4-butanedioic Acid (Succinic Acid) is also used in foods as a sequestrant, buffer, and a neutralizing agent.


Succinate is generated in mitochondria via the tricarboxylic acid (TCA) cycle.
Succinate can exit the mitochondrial matrix and function in the cytoplasm as well as the extracellular space, changing gene expression patterns, modulating epigenetic landscape or demonstrating hormone-like signaling.
As such, succinate links cellular metabolism, especially ATP formation, to the regulation of cellular function.

Dysregulation of succinate synthesis, and therefore ATP synthesis, happens in some genetic mitochondrial diseases, such as Leigh syndrome, and Melas syndrome, and degradation can lead to pathological conditions, such as malignant transformation, inflammation and tissue injury.
1,4-butanedioic Acid (Succinic Acid) is marketed as food additive E363.
The name derives from Latin succinum, meaning amber.

PHYSICAL PROPERTIES OF 1,4-BUTANEDIOIC ACID (SUCCINIC ACID):
1,4-butanedioic Acid (Succinic Acid) is a white, odorless solid with a highly acidic taste.
In an aqueous solution, succinic acid readily ionizes to form its conjugate base, succinate (/ˈsʌksɪneɪt/).

As a diprotic acid, succinic acid undergoes two successive deprotonation reactions:
(CH2)2(CO2H)2 → (CH2)2(CO2H)(CO2)− + H+
(CH2)2(CO2H)(CO2)− → (CH2)2(CO2)22− + H+

The pKa of these processes are 4.3 and 5.6, respectively.
Both anions are colorless and can be isolated as the salts, e.g., Na(CH2)2(CO2H)(CO2) and Na2(CH2)2(CO2)2.
In living organisms, primarily succinate, not succinic acid, is found.

As a radical group it is called a succinyl (/ˈsʌksɪnəl/) group.
Like most simple mono- and dicarboxylic acids, it is not harmful but can be an irritant to skin and eyes.

COMMERCIAL PRODUCTION OF 1,4-BUTANEDIOIC ACID (SUCCINIC ACID):
Historically, 1,4-butanedioic Acid (Succinic Acid) was obtained from amber by distillation and has thus been known as spirit of amber.
Common industrial routes include hydrogenation of maleic acid, oxidation of 1,4-butanediol, and carbonylation of ethylene glycol.
Succinate is also produced from butane via maleic anhydride.

Global production is estimated at 16,000 to 30,000 tons a year, with an annual growth rate of 10%.
Genetically engineered Escherichia coli and Saccharomyces cerevisiae are proposed for the commercial production via fermentation of glucose.


CHEMICAL REACTIONS OF 1,4-BUTANEDIOIC ACID (SUCCINIC ACID)
1,4-butanedioic Acid (Succinic Acid) can be dehydrogenated to fumaric acid or be converted to diesters, such as diethylsuccinate (CH2CO2CH2CH3)2.
This diethyl ester is a substrate in the Stobbe condensation.
Dehydration of succinic acid gives succinic anhydride.

Succinate can be used to derive 1,4-butanediol, maleic anhydride, succinimide, 2-pyrrolidinone and tetrahydrofuran.

APPLICATIONS OF 1,4-BUTANEDIOIC ACID (SUCCINIC ACID):
In 2004, succinate was placed on the US Department of Energy's list of top 12 platform chemicals from biomass.

Precursor to polymers, resins, and solvents:
1,4-butanedioic Acid (Succinic Acid) is a precursor to some polyesters and a component of some alkyd resins.
1,4-Butanediol (BDO) can be synthesized using succinic acid as a precursor.
The automotive and electronics industries heavily rely on BDO to produce connectors, insulators, wheel covers, gearshift knobs and reinforcing beams.

1,4-butanedioic Acid (Succinic Acid) also serves as the bases of certain biodegradable polymers, which are of interest in tissue engineering applications.
Acylation with succinic acid is called succination.
Oversuccination occurs when more than one succinate adds to a substrate.


Food and dietary supplement:
As a food additive and dietary supplement, succinic acid is generally recognized as safe by the U.S. Food and Drug Administration.
Succinic acid is used primarily as an acidity regulator in the food and beverage industry.

1,4-butanedioic Acid (Succinic Acid) is also available as a flavoring agent, contributing a somewhat sour and astringent component to umami taste.
As an excipient in pharmaceutical products, it is also used to control acidity or as a counter ion.
Drugs involving succinate include metoprolol succinate, sumatriptan succinate, Doxylamine succinate or solifenacin succinate.

BIOSYNTHESIS OF 1,4-BUTANEDIOIC ACID (SUCCINIC ACID)
Tricarboxylic acid (TCA) cycle:
Succinate is a key intermediate in the tricarboxylic acid cycle, a primary metabolic pathway used to produce chemical energy in the presence of O2.
Succinate is generated from succinyl-CoA by the enzyme succinyl-CoA synthetase in a GTP/ATP-producing step:
Succinyl-CoA + NDP + Pi → Succinate + CoA + NTP
Catalyzed by the enzyme succinate dehydrogenase (SDH), succinate is subsequently oxidized to fumarate:
Succinate + FAD → Fumarate + FADH2

SDH also participates in the mitochondrial electron transport chain, where it is known as respiratory complex II.
This enzyme complex is a 4 subunit membrane-bound lipoprotein which couples the oxidation of succinate to the reduction of ubiquinone via the intermediate electron carriers FAD and three 2Fe-2S clusters.
Succinate thus serves as a direct electron donor to the electron transport chain, and itself is converted into fumarate


Reductive branch of the TCA cycle:
Succinate can alternatively be formed by reverse activity of SDH.
Under anaerobic conditions certain bacteria such as A. succinogenes, A. succiniciproducens and M. succiniciproducens, run the TCA cycle in reverse and convert glucose to succinate through the intermediates of oxaloacetate, malate and fumarate.

This pathway is exploited in metabolic engineering to net generate succinate for human use.
Additionally, succinic acid produced during the fermentation of sugar provides a combination of saltiness, bitterness and acidity to fermented alcohols.

Accumulation of fumarate can drive the reverse activity of SDH, thus enhancing succinate generation.
Under pathological and physiological conditions, the malate-aspartate shuttle or the purine nucleotide shuttle can increase mitochondrial fumarate, which is then readily converted to succinate.

Glyoxylate cycle:
Succinate is also a product of the glyoxylate cycle, which converts two two-carbon acetyl units into the four-carbon succinate.
The glyoxylate cycle is utilized by many bacteria, plants and fungi and allows these organisms to subsist on acetate or acetyl CoA yielding compounds.

The pathway avoids the decarboxylation steps of the TCA cycle via the enzyme isocitrate lyase which cleaves isocitrate into succinate and glyoxylate. Generated succinate is then available for either energy production or biosynthesis.

GABA shunt:
Succinate is the re-entry point for the gamma-aminobutyric acid (GABA) shunt into the TCA cycle, a closed cycle which synthesizes and recycles GABA.
The GABA shunt serves as an alternate route to convert alpha-ketoglutarate into succinate, bypassing the TCA cycle intermediate succinyl-CoA and instead producing the intermediate GABA.

Transamination and subsequent decarboxylation of alpha-ketoglutarate leads to the formation of GABA.
GABA is then metabolized by GABA transaminase to succinic semialdehyde.
Finally, succinic semialdehyde is oxidized by succinic semialdehyde dehydrogenase (SSADH) to form succinate, re-entering the TCA cycle and closing the loop.

Enzymes required for the GABA shunt are expressed in neurons, glial cells, macrophages and pancreatic cells






Cellular metabolism:
Metabolic intermediate:
Succinate is produced and concentrated in the mitochondria and its primary biological function is that of a metabolic intermediate.
All metabolic pathways that are interlinked with the TCA cycle, including the metabolism of carbohydrates, amino acids, fatty acids, cholesterol, and heme, rely on the temporary formation of succinate.

The intermediate is made available for biosynthetic processes through multiple pathways, including the reductive branch of the TCA cycle or the glyoxylate cycle, which are able to drive net production of succinate.
In rodents, mitochondrial concentrations are approximately ~0.5 mM while plasma concentration are only 2–20 μM.

ROS production:
The activity of succinate dehydrogenase (SDH), which interconverts succinate into fumarate participates in mitochondrial reactive oxygen species (ROS) production by directing electron flow in the electron transport chain.
Under conditions of succinate accumulation, rapid oxidation of succinate by SDH can drive reverse electron transport (RET).
If mitochondrial respiratory complex III is unable to accommodate excess electrons supplied by succinate oxidation, it forces electrons to flow backwards along the electron transport chain.

RET at mitochondrial respiratory complex 1, the complex normally preceding SDH in the electron transport chain, leads to ROS production and creates a pro-oxidant microenvironment.

Additional biologic functions:
In addition to its metabolic roles, succinate serves as an intracellular and extracellular signaling molecule.
Extra-mitochondrial succinate alters the epigenetic landscape by inhibiting the family of 2-oxogluterate-dependent dioxygenases.

Alternative, succinate can be released into the extracellular milieu and the blood stream where it is recognized by target receptors.
In general, leakage from the mitochondria requires succinate overproduction or underconsumption and occurs due to reduced, reverse or completely absent activity of SDH or alternative changes in metabolic state.
Mutations in SDH, hypoxia or energetic misbalance are all linked to an alteration of flux through the TCA cycle and succinate accumulation.

Upon exiting the mitochondria, succinate serves as a signal of metabolic state, communicating to neighboring cells how metabolically active the originating cell population is.
As such, succinate links TCA cycle dysfunction or metabolic changes to cell-cell communication and to oxidative stress-related responses.

Transporters:
Succinate requires specific transporters to move through both the mitochondrial and plasma membrane.
Succinate exits the mitochondrial matrix and passes through the inner mitochondrial membrane via dicarboxylate transporters, primarily SLC25A10, a succinate-fumarate/malate transporter.

In the second step of mitochondrial export, succinate readily crosses the outer mitochondrial membrane through porins, nonspecific protein channels that facilitate the diffusion of molecules less than 1.5 kDa.
Transport across the plasma membrane is likely tissue specific.
A key candidate transporter is INDY (I'm not dead yet), a sodium-independent anion exchanger, which moves both dicarboxylate and citrate into the bloodstream

Extracellular signaling:
Extracellular succinate can act as a signaling molecule with hormone-like function, targeting a variety of tissues such as blood cells, adipose tissue, immune cells, the liver, the heart, the retina and primarily the kidney.
The G-protein coupled receptor, GPR91 also known as SUCNR1, serves as the detector of extracellular succinate.
Arg99, His103, Arg252, and Arg281 near the center of the receptor generate a positively charged binding site for succinate.

The ligand specificity of GPR91 was rigorously tested using 800 pharmacologically active compounds and 200 carboxylic acid and succinate-like compounds, all of which demonstrated significantly lower binding affinity.
Overall, the EC50 for succinate-GPR91 is in the 20–50 uM range.
Depending on the cell type, GPR91 can interact with multiple G proteins, including Gs, Gi and Gq, and enabling a multitude of signaling outcomes.


Effect on adipocytes:
In adipocytes, the succinate-activated GPR91 signaling cascade inhibits lipolysis.
Effect on the liver and retina
Succinate signaling often occurs in response to hypoxic conditions. In the liver, succinate serves as a paracrine signal, released by anoxic hepatocytes, and targets stellate cells via GPR91.

This leads to stellate cell activation and fibrogenesis.
Thus, succinate is thought to play a role in liver homeostasis.
In the retina, succinate accumulates in retinal ganglion cells in response to ischemic conditions.

Autocrine succinate signaling promotes retinal neovascularization, triggering the activation of angiogenic factors such as endothelial growth factor (VEGF).

Effect on the heart:
Extracellular succinate regulates cardiomyocyte viability through GPR91 activation; long-term succinate exposure leads to pathological cardiomyocyte hypertrophy.
Stimulation of GPR91 triggers at least two signaling pathways in the heart: a MEK1/2 and ERK1/2 pathway that activates hypertrophic gene expression and a phospholipase C pathway which changes the pattern of Ca2+ uptake and distribution and triggers CaM-dependent hypertrophic gene activation.


Effect on immune cells:
SUCNR1 is highly expressed on immature dendritic cells, where succinate binding stimulates chemotaxis.
Furthermore, SUCNR1 synergizes with toll-like receptors to increase the production of proinflammatory cytokines such as TNF alpha and interleukin-1beta.

Succinate may enhance adaptive immunity by triggering the activity of antigen-presenting cells that, in turn, activate T-cells.

Effect on platelets:
SUCNR1 is one of the highest expressed G protein-coupled receptors on human platelets, present at levels similar to P2Y12, though the role of succinate signaling in platelet aggregation is debated.
Multiple studies have demonstrated succinate-induced aggregation, but the effect has high inter-individual variability.

Effect on the kidneys
Succinate serves as a modulator of blood pressure by stimulating renin release in macula densa and juxtaglomerular apparatus cells via GPR91.
Therapies targeting succinate to reduce cardiovascular risk and hypertension are currently under investigation


Intracellular signaling:
Accumulated succinate inhibits dioxygenases, such as histone and DNA demethylases or prolyl hydroxylases, by competitive inhibition.
Thus, succinate modifies the epigenic landscape and regulates gene expression.
Accumulation of either fumarate or succinate reduces the activity of 2-oxoglutarate-dependent dioxygenases, including histone and DNA demethylases, prolyl hydroxylases and collagen prolyl-4-hydroxylases, through competitive inhibition.

2-oxoglutarate-dependent dioxygenases require an iron cofactor to catalyze hydroxylations, desaturations and ring closures.
Simultaneous to substrate oxidation, they convert 2-oxoglutarate, also known as alpha-ketoglutarate, into succinate and CO2. 2-oxoglutarate-dependent dioxygenases bind substrates in a sequential, ordered manner.

First, 2-oxoglutarate coordinates with an Fe(II) ion bound to a conserved 2-histidinyl–1-aspartyl/glutamyl triad of residues present in the enzymatic center.
Subsequently, the primary substrate enters the binding pocket and lastly dioxygen binds to the enzyme-substrate complex.

Oxidative decarboxylation then generates a ferryl intermediate coordinated to succinate, which serves to oxidize the bound primary substrate.
Succinate may interfere with the enzymatic process by attaching to the Fe(II) center first, prohibiting the binding of 2-oxoglutarate.
Thus, via enzymatic inhibition, increased succinate load can lead to changes in transcription factor activity and genome-wide alterations in histone and DNA methylation.


Epigenetic effects:
Succinate and fumarate inhibit the TET (ten-eleven translocation) family of 5-methylcytosine DNA modifying enzymes and the JmjC domain-containing histone lysine demethylase (KDM).

Pathologically elevated levels of succinate lead to hypermethylation, epigenetic silencing and changes in neuroendocrine differentiation, potentially driving cancer formation.

Gene regulation:
Succinate inhibition of prolyl hydroxylases (PHDs) stabilizes the transcription factor hypoxia inducible factor (HIF)1α.

PHDs hydroxylate proline in parallel to oxidatively decarboxylating 2-oxyglutarate to succinate and CO2.
In humans, three HIF prolyl 4-hydroxylases regulate the stability of HIFs.

Hydroxylation of two prolyl residues in HIF1α facilitates ubiquitin ligation, thus marking it for proteolytic destruction by the ubiquitin/proteasome pathway.

Since PHDs have an absolute requirement for molecular oxygen, this process is suppressed in hypoxia allowing HIF1α to escape destruction.
High concentrations of succinate will mimic the hypoxia state by suppressing PHDs,[37] therefore stabilizing HIF1α and inducing the transcription of HIF1-dependent genes even under normal oxygen conditions.
HIF1 is known to induce transcription of more than 60 genes, including genes involved in vascularization and angiogenesis, energy metabolism, cell survival, and tumor invasion.

Role in human health:
Inflammation:
Metabolic signaling involving succinate can be involved in inflammation via stabilization of HIF1-alpha or GPR91 signaling in innate immune cells.
Through these mechanisms, succinate accumulation has been shown to regulate production of inflammatory cytokines.
For dendritic cells, succinate functions as a chemoattractant and increases their antigen-presenting function via receptor stimulated cytokine production.

In inflammatory macrophages, succinate-induced stability of HIF1 results in increased transcription of HIF1-dependent genes, including the pro-inflammatory cytokine interleukin-1β.
Other inflammatory cytokines produced by activated macrophages such as tumor necrosis factor or interleukin 6 are not directly affected by succinate and HIF1.


The mechanism by which succinate accumulates in immune cells is not fully understood.
Activation of inflammatory macrophages through toll-like receptors induces a metabolic shift towards glycolysis.
In spite of a general downregulation of the TCA cycle under these conditions, succinate concentration is increased.
However, lipopolysaccharides involved in the activation of macrophages increase glutamine and GABA transporters.

Succinate may thus be produced from enhanced glutamine metabolism via alpha-ketoglutarate or the GABA shunt.

Tumorigenesis:
Succinate is one of three oncometabolites, metabolic intermediates whose accumulation causes metabolic and non-metabolic dysregulation implicated in tumorigenesis.
Loss-of-function mutations in the genes encoding succinate dehydrogenase, frequently found in hereditary paraganglioma and pheochromocytoma, cause pathological increase in succinate.

SDH mutations have also been identified in gastrointestinal stromal tumors, renal tumors, thyroid tumors, testicular seminomas and neuroblastomas.
The oncogenic mechanism caused by mutated SHD is thought to relate to succinate's ability to inhibit 2-oxogluterate-dependent dioxygenases. Inhibition of KDMs and TET hydroxylases results in epigenetic dysregulation and hypermethylation affecting genes involved in cell differentiation.

Additionally, succinate-promoted activation of HIF-1α generates a pseudo-hypoxic state that can promote tumorneogensis by transcriptional activation of genes involved in proliferation, metabolism and angiogenesis.
The other two oncometabolites, fumarate and 2-hydroxyglutarate have similar structures to succinate and function through parallel HIF-inducing oncogenic mechanisms.

Ischemia reperfusion injury:
Succinate accumulation under hypoxic conditions has been implicated in the reperfusion injury through increased ROS production.

During ischemia, succinate accumulates.
Upon reperfusion, succinate is rapidly oxidized leading to abrupt and extensive production of ROS.
ROS then trigger the cellular apoptotic machinery or induce oxidative damage to proteins, membranes, organelles etc.

In animal models, pharmacological inhibition of ischemic succinate accumulation ameliorated ischemia-reperfusion injury.
As of 2016 the inhibition of succinate-mediated ROS production was under investigation as a therapeutic drug target.


CHEMICAL AND PHYSICAL PROPERTIES OF 1,4-BUTANEDIOIC ACID (SUCCINIC ACID):
Chemical formula, C4H6O4
Molar mass, 118.088 g•mol−1
Density, 1.56 g/cm3[2]
Melting point, 184–190 °C (363–374 °F; 457–463 K)
Boiling point, 235 °C (455 °F; 508 K)[2]
Solubility in water, 58 g/L (20 °C)[2] or 100 mg/mL[3]
Solubility in Methanol, 158 mg/mL[3]
Solubility in Ethanol, 54 mg/mL[3]
Solubility in Acetone, 27 mg/mL[3]
Solubility in Glycerol, 50 mg/mL[3]
Solubility in Ether, 8.8 mg/mL[3]
Acidity (pKa), pKa1 = 4.2
pKa2 = 5.6
Magnetic susceptibility (χ), -57.9•10−6 cm3/mol
Hazards,
Flash point, 206 °C (403 °F; 479 K)[2]
Molecular Weight
118.09 g/mol
XLogP3
-0.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
118.02660867 g/mol
Monoisotopic Mass
118.02660867 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
92.6
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
IUPAC Name, butanedioic acid
Traditional IUPAC Name, succinic acid
Formula, C4H6O4
InChI, InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChI Key, KDYFGRWQOYBRFD-UHFFFAOYSA-N
Molecular weight, 118.088
Exact mass, 118.02660868
SMILES, OC(=O)CCC(O)=O
Water Solubility, 211 g/L,
logP, -0.53,
logP, -0.4,
logS, 0.25,
pKa (Strongest Acidic), 3.55,
Physiological Charge, -2,
Hydrogen Acceptor Count, 4,
Hydrogen Donor Count, 2,
Polar Surface Area, 74.6 Ų,
Rotatable Bond Count, 3,
Refractivity, 23.54 m³•mol⁻¹,
Polarizability, 10.14 ų,
Number of Rings, 0,
Bioavailability, 1,
Rule of Five, Yes,
Ghose Filter, Yes,
Veber's Rule, Yes,
MDDR-like Rule, Yes,



SAFETY INFORMATION ABOUT 1,4-BUTANEDIOIC ACID (SUCCINIC ACID):
First aid measures:
Description of first aid measures:
General advice:
Consult a physician.
Show this safety data sheet to the doctor in attendance.
Move out of dangerous area:

If inhaled:
If breathed in, move person into fresh air.
If not breathing, give artificial respiration.
Consult a physician.
In case of skin contact:
Take off contaminated clothing and shoes immediately.
Wash off with soap and plenty of water.
Consult a physician.

In case of eye contact:
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
Continue rinsing eyes during transport to hospital.

If swallowed:
Do NOT induce vomiting.
Never give anything by mouth to an unconscious person.
Rinse mouth with water.
Consult a physician.

Firefighting measures:
Extinguishing media:
Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas

Advice for firefighters:
Wear self-contained breathing apparatus for firefighting if necessary.
Accidental release measures:
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment.

Avoid breathing vapours, mist or gas.
Evacuate personnel to safe areas.

Environmental precautions:
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.

Methods and materials for containment and cleaning up:
Soak up with inert absorbent material and dispose of as hazardous waste.
Keep in suitable, closed containers for disposal.

Handling and storage:
Precautions for safe handling:
Avoid inhalation of vapour or mist.

Conditions for safe storage, including any incompatibilities:
Keep container tightly closed in a dry and well-ventilated place.
Containers which are opened must be carefully resealed and kept upright to prevent leakage.
Storage class (TRGS 510): 8A: Combustible, corrosive hazardous materials

Exposure controls/personal protection:
Control parameters:
Components with workplace control parameters
Contains no substances with occupational exposure limit values.
Exposure controls:
Appropriate engineering controls:
Handle in accordance with good industrial hygiene and safety practice.
Wash hands before breaks and at the end of workday.

Personal protective equipment:
Eye/face protection:
Tightly fitting safety goggles.
Faceshield (8-inch minimum).
Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection:
Handle with gloves.
Gloves must be inspected prior to use.
Use proper glove
removal technique (without touching glove's outer surface) to avoid skin contact with this product.
Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.

Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
It should not be construed as offering an approval for any specific use scenario.

Body Protection:
Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection:
Where risk assessment shows air-purifying respirators are appropriate use a fullface respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls.

If the respirator is the sole means of protection, use a full-face supplied air respirator.
Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.

Stability and reactivity:
Chemical stability:
Stable under recommended storage conditions.
Incompatible materials:
Strong oxidizing agents:
Hazardous decomposition products:
Hazardous decomposition products formed under fire conditions.
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas.

Disposal considerations:
Waste treatment methods:
Product:
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging:
Dispose of as unused product



1,4-BUTANEDIOL
1,4-Butanediol Synthesis of 1,4-Butanediol In its industrial synthesis, acetylene reacts with two equivalents of formaldehyde to form 1,4-butynediol. This type of acetylene-based process is illustrative of what is known as "Reppe chemistry", after German chemist Walter Reppe. Hydrogenation of 1,4-butynediol gives 1,4-butanediol. It is also manufactured on an industrial scale from maleic anhydride in the Davy process, which is first converted to the methyl maleate ester, then hydrogenated. Other routes are from butadiene, allyl acetate and succinic acid. A biological route to BD has been commercialized that uses a genetically modified organism. The biosynthesis proceeds via 4-hydroxybutyrate. Industrial use of 1,4-Butanediol 1,4-Butanediol is used industrially as a solvent and in the manufacture of some types of plastics, elastic fibers and polyurethanes. In organic chemistry, 1,4-butanediol is used for the synthesis of γ-butyrolactone (GBL). In the presence of phosphoric acid and high temperature, it dehydrates to the important solvent tetrahydrofuran. At about 200 °C in the presence of soluble ruthenium catalysts, the diol undergoes dehydrogenation to form butyrolactone. Almost half of it is dehydrated to tetrahydrofuran to make fibers such as Spandex. Toxicity of 1,4-Butanediol When mixed with other drugs, misuse of 1,4-butanediol has resulted in addiction and death. Use as a recreational drug FDA warning against products containing GHB and its prodrugs, such as 1,4-butanediol. 1,4-Butanediol is also used as a recreational drug known by some users as "One Comma Four", "Liquid Fantasy", "One Four Bee" or "One Four B-D-O". It exerts effects similar to γ-hydroxybutyrate (GHB), which is a metabolic product of 1,4-butanediol. Pharmacokinetics 1,4-Butanediol is converted into GHB by the enzymes alcohol dehydrogenase and aldehyde dehydrogenase, and differing levels of these enzymes may account for differences in effects and side effects between users. While co-administration of ethanol and GHB already poses serious risks, co-administration of ethanol with 1,4-butanediol will interact considerably and has many other potential risks. This is because the same enzymes that are responsible for metabolizing alcohol also metabolize 1,4-butanediol so there is a strong chance of a dangerous drug interaction. Emergency room patients who overdose on both ethanol and 1,4-butanediol often present with symptoms of alcohol intoxication initially and as the ethanol is metabolized the 1,4-butanediol is then able to better compete for the enzyme and a second period of intoxication ensues as the 1,4-butanediol is converted into GHB. Pharmacodynamics 1,4-Butanediol seems to have two types of pharmacological actions. The major psychoactive effects of 1,4-butanediol are because it is metabolized into GHB; however there is a study suggesting that 1,4-butanediol may have potential alcohol-like pharmacological effects on its own. The study arrived at this conclusion based on the finding that 1,4-butanediol co-administered with ethanol led to potentiation of some of the behavioral effects of ethanol. However, potentiation of ethanol's effects may simply be caused by competition for the alcohol dehydrogenase and aldehyde dehydrogenase enzymes with co-administered 1,4-butanediol. The shared metabolic rate-limiting steps thus leads to slowed metabolism and clearance for both compounds including ethanol's known toxic metabolite acetaldehyde. Another study found no effect following intracerebroventricular injection in rats of 1,4-butanediol. This contradicts the hypothesis of 1,4-butanediol having inherent alcohol-like pharmacological effects. Like GHB, 1,4-butanediol is only safe in small amounts. Adverse effects in higher doses include nausea, vomiting, dizziness, sedation, vertigo, and potentially death if ingested in large amounts. Anxiolytic effects are diminished and side effects increased when used in combination with alcohol. Legality of 1,4-Butanediol While 1,4-butanediol is not currently scheduled federally in the United States, a number of states have classified 1,4-butanediol as a controlled substance. Individuals have been prosecuted for 1,4-butanediol under the Federal Analog Act as substantially similar to GHB. A federal case in New York in 2002 ruled that 1,4-butanediol could not be considered an analog of GHB under federal law, but that decision was later overturned by the Second Circuit. However, a jury in Federal District Court in Chicago found that 1,4-butanediol was not be an analog of GHB under federal law, and the Seventh Circuit Court of Appeals upheld that verdict. In the United Kingdom, 1,4-butanediol was scheduled in December 2009 (along with another GHB precursor, gamma-butyrolactone) as a Class C controlled substance. In Germany, the drug is not explicitly illegal, but might also be treated as illegal if used as a drug. It is controlled as a Schedule VI precursor in Canada. 2007 contamination of Bindeez toy A toy called "Bindeez" ("Aqua Dots" in North America) was recalled by the distributor in November 2007 because of the presence of 1,4-butanediol. The toy consists of small beads that stick to each other by sprinkling water. 1,4-Butanediol was detected by GC-MS. The production plant seems to have intended to cut costs by replacing less toxic 1,5-pentanediol with 1,4-butanediol. Properties of 1,4-Butanediol Chemical formula C4H10O2 Molar mass 90.122 g·mol−1 Density 1.0171 g/cm3 (20 °C) Melting point 20.1 °C (68.2 °F; 293.2 K) Boiling point 235 °C (455 °F; 508 K) Solubility in water Miscible Solubility in ethanol Soluble Magnetic susceptibility (χ) -61.5·10−6 cm3/mol Refractive index (nD) 1.4460 (20 °C) 1,4-Butanediol is completely metabolized in rabbits. No free 1,4-butanediol could be detected in the urine after oral administration of 4 mmol 1,4-butanediol/kg bw (equivalent to 361 mg/kg). About 1% of the administered dose was found to be conjugated with glucuronic acid, while 7% was excreted as succinic acid. 1,4-Butanediol was rapidly metabolized to 4-hydroxybutyric acid in humans and monkeys. The appearance of 4-hydroxybutyric acid as a metabolite was faster in man than in monkey. This chemical appeared to have two types of pharmacologic actions, one attributable to its conversion to gamma-hydroxybutyric acid and the other an inherent property of the diol itself. It is generally accepted that gamma-hydroxybutyric acid crosses the blood-brain barrier and shows neuropharmacologic responses same as 1,4-butanediol. Therefore, neurotoxic effect of 1,4-butanediol is considered to be caused by the metabolite, gamma-hydroxybutyric acid. Recently, a metabolism and disposition study conducted in F344/N rats by the NTP confirmed the rapid and extensive conversion of 1-(14C)-1,4-butanediol to 14CO2. Based on this information, it is considered that 1,4-butanediol is rapidly absorbed and metabolized to gamma-hydroxybutyric acid in animals as well as humans. Here we show that in vivo injection of 1,4-butanediol into adult Drosophila leads to GHB synthesis (GHB was detectable 5 min after 1,4-butanediol injection and increased dramatically 1-2 hr later). This synthesis of GHB was accompanied by an impairment of locomotor activity that was mimicked by a direct injection of GHB into flies. We propose Drosophila as a model to study the molecular actions of 1,4-butanediol and GHB. 1,4-Butanediol is a gamma hydroxybutryic acid (GHB) analogue that can be used as a substitute for GHB. When ingested, 1,4-butanediol is metabolized to GHB and produces similar effects. IDENTIFICATION of 1,4-Butanediol: 1,4-Butanediol is a colorless, oily liquid with almost no odor. It mixes easily with water. USE: 1,4-Butanediol is used as a solvent and in the manufacturing of plastics and pharmaceuticals. It is used in personal care products and is an illicit drug in place of gamma-hydroxybutyric acid (GHB). EXPOSURE of 1,4-Butanediol: Workers that produce or use 1,4-butanediol may breathe in mists or have direct skin contact. The general population may be exposed dermally to consumer products or via its use as an illicit drug. If 1,4-butanediol is released to the environment, it will be broken down in air by reaction with hydroxyl radicals. It will not be broken down in the air by sunlight. It will not volatilize into air from soil and water surfaces. It is expected to move easily through soil. It will be broken down by microorganisms rapidly, and is not expected to build up in fish. RISK: 1,4-Butanediol is a sedative when ingested or administered intravenously, and can cause feelings of intoxication. Additional effects associated with sedative doses include restlessness, muscle spasms, shortness of breath, low respiratory rate, vomiting, seizures, unconsciousness, coma and even death. 1,4-Butanediol is addictive, so people who use it recreationally may experience symptoms of withdrawal. No evidence of infertility, abortion or birth defects were observed in laboratory animals following oral exposure to 1,4-butanediol before and/or during pregnancy. Decreased birth weights were observed in offspring at high doses that also caused maternal toxicity (decreased weight gain, mild kidney and liver effects, and death in some animals). Data on the potential for 1,4-butanediol to cause cancer in laboratory animals were not available. However, there is evidence that its main breakdown product (GHB) causes cancer in laboratory animals exposed over time, suggesting a low potential for 1,4-butanediol to cause cancer in laboratory animals. The potential for 1,4-butanediol to cause cancer in humans has not been assessed by the U.S. EPA IRIS program, the International Agency for Research on Cancer, or the U.S. National Toxicology Program 14th Report on Carcinogen. 1,4-Butanediol is a versatile intermediate for the chemical industry. The most important area of application is the production of polyurethanes and poly(butylene terephthalate). Among the polyurethanes produced from 1,4-butanediol, cellular and compact elastomers are of prime importance. 1,4-Butanediol is made on a large industrial scale by continuous hydrogenation of the 2-butyne-1,4-diol over modified nickel catalysts. The one-stage flow process is carried out at 80 - 160 °C and 300 bar. An aqueous solution of 2-butyne-1,4-diol (30 - 50%), together with carbon monoxide-free hydrogen and recycled reaction mixture, which acts as medium for dissipation of heat, is lead over a reduced nickel - copper - manganese catalysts on silica gel strands. The initial temperature in the reactor is 80 °C; the temperature must not exceed 170 °C. In order to obtain a better distribution of the liquid, hydrogen is also circulated. The raw product contains methanol, propanol, and butanol as byproducts as well as traces of 2-methyl-1,4-butanediol, hydroxybutyraldehyde, acetals, and triols. The reactor effluent is worked up to pure 1,4-butanediol by fractional distillation. Mitsubishi uses a three-step process: the catalytic reaction of butadiene and acetic acid yields 1,4-diacetoxy-2-butene; subsequent hydrogenation gives 1,4-diacetoxybutane; and hydrolysis leads to 1,4-butanediol. According to a process practiced by Toyo Soda chlorine first adds to butadiene to form a mixture of 1,4-dichloro-2-butene and 3,4-dichloro-1- butene. This mixture reacts with sodium acetate to form 1,4-diacetoxy-2- butene, which is subsequently hydrogenated directly to 1,4-butanediol. 1,4-Butanediol can be stored indefinitely. The product is noncorrosive and therefore can be transported in cast iron containers. When it is stored for longer periods, storage tanks of steel or aluminum are necessary in order to avoid traces of iron in the product. In this case, a cover of dry nitrogen also is recommended. 1,4-Butanediol is an indirect food additive for use only as a component of adhesives. From June 1999 through December 1999, cases of toxic effects of 1,4-butanediol involving patients who presented to emergency departments with a clinical syndrome suggesting toxic effects of gamma-hydroxybutyrate and a history of ingesting 1,4-butanediol and patients discovered through public health officials and family members /were identified/. Gas chromatography-mass spectrometry /was used/ to measure 1,4-butanediol or its metabolite, gamma-hydroxybutyrate, in urine, serum, or blood. Nine episodes of toxic effects in eight patients who had ingested 1,4-butanediol recreationally, to enhance bodybuilding, or to treat depression or insomnia /were identified/. One patient presented twice with toxic effects and had withdrawal symptoms after her second presentation. Clinical findings and adverse events included vomiting, urinary and fecal incontinence, agitation, combativeness, a labile level of consciousness, respiratory depression, and death. No additional intoxicants were identified in six patients, including the two who died. The doses of 1,4-butanediol ingested ranged from 5.4 to 20 g in the patients who died and ranged from 1 to 14 g in the nonfatal cases. The health risks of 1,4-butanediol are similar to those of its counterparts, gamma-hydroxybutyrate and gamma-butyrolactone. These include acute toxic effects, which may be fatal, and addiction and withdrawal. IDENTIFICATION AND USE of 1,4-Butanediol: 1,4-Butanediol is a colorless, oily liquid. It is used as an industrial solvent, intermediate in organic synthesis, and polymer feedstock. Two studies have been identified concerning the experimental use of 1,4-butanediol as a sedative. HUMAN STUDIES of 1,4-Butanediol: It was reported that sleep is induced by intravenous administration or by infusion. Undesirable side-effects which may occur include restlessness and clonic spasms of the muscle of the extremities. Cases of abuse and fatal intoxication have been reported. ANIMAL STUDIES of 1,4-Butanediol: Gauze patches with undiluted 1,4-butanediol were applied to the intact and abraded skin of rabbits with occlusive dressing for 24 hours. After 1, 24, 48 and 72 hours, no reaction was observed on the intact and abraded skin. The main signs of toxicity seen in mice and rats were accelerated breathing, dyspnea, spasmodic breathing, bradycardia, exsiccosis, exophthalmus, apathy, hyperreflexia, hyporeflexia, areflexia, ataxia, atonia, twitching, reduced motility, analgesia, lying on the side, loss of righting reflexes, sedation, narcosis, hair loss and ruffled fur. Death occurred within 24 hours. Respiratory failure was thought to be the cause of death. Signs of intoxication appeared more quickly after rectal than after oral administration. In rat developmental studies, administration was conducted by gavage at doses of 200, 400 or 800 mg/kg/day from 14 days before mating to 14 days after mating in males and from 14 days before mating to day 3 of lactation in females. The parental animals exhibited no alteration in reproductive parameters including the copulation index, fertility index, gestation length, numbers of corpora lutea or implantation, implantation index, gestation index, delivery index, and behavior at delivery and lactation. Although neither the pup viability nor the incidence of morphological abnormalities was changed by administration of the compound, pup body weight was slightly but significantly decreased in the 800 mg/kg group. In a gene mutation assay using CHO cells, 1,4-butanediol did not induce any reproducible statistically or biologically significant increase in the mutant frequency of the HPRT (hypoxanthine-guanine phosphoribosyl transferase) locus with and without metabolic activation. A gene reverse mutation test was negative in S. typhimurium TA 100, TA 98, TA 1535, TA 1537 and E.coli WP2 uvrA with and without metabolic activation. ECOTOXICITY STUDIES of 1,4-Butanediol: Toxicity of this chemical to aquatic organisms seems to be low, because all toxicity data obtained were higher than 85 mg/L or 1000 mg/L which were the maximum concentrations of exposure. No fish died, and no toxic symptoms were observed in fish exposed to 92.5 mg/L of this chemical throughout 14 day test period. Also, any reproduction impairment was not observed in D. magna exposed to 85 mg/L. Ingestion of plastic toys is common in children and usually does not result in harm. We report a case of coma in a 20-month-old child after an ingestion of a toy containing 1,4-butanediol, an industrial solvent used to manufacture plastics. When ingested, 1,4-butanediol is metabolized to gamma-hydroxybutyrate, which can have significant systemic effects including death. Health care providers should suspect the possibility of a toxic component when a presumed nontoxic object causes unusual symptoms. Acute Exposure/ 1,4-Butanediol was administered to the right conjunctival sac of rabbits as a single dose of 0.1 mL. Slight reddening of the conjunctiva and small amounts of discharge were observed in all four rabbits 1 hour after ocular application. The changes diminished after 24 and 48 hours and no abnormalities were observed thereafter. In another study, there was also very slight conjunctival irritation but no corneal injury. ... Ineffective concentration of 1,4-butanediol with respect of ocular mucosa was determined 500 mg/L. 1,4-Butanediol's production and use as a solvent and chemical intermediate may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 0.0105 mm Hg at 25 °C indicates 1,4-butanediol will exist solely as a vapor in the atmosphere. Vapor-phase 1,4-butanediol will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 10 hours. 1,4-Butanediol does not contain chromophores that absorb at wavelengths >290 nm and, therefore, is not expected to be susceptible to direct photolysis by sunlight. If released to soil, 1,4-butanediol is expected to have very high mobility based upon an estimated Koc of 1. Volatilization from moist soil surfaces is not expected to be an important fate process based upon an estimated Henry's Law constant of 1.2X10-9 atm-cu m/mole. 1,4-Butanediol is not expected to volatilize from dry soil surfaces based upon its vapor pressure. Utilizing the Japanese MITI test, 83% of the Theoretical BOD was reached in 2 weeks indicating that biodegradation is an important environmental fate process in soil and water. If released into water, 1,4-butanediol is not expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is not expected to be an important fate process based upon this compound's estimated Henry's Law constant. An estimated BCF of 3 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions (pH 5 to 9). Occupational exposure to 1,4-butanediol may occur through inhalation and dermal contact with this compound at workplaces where 1,4-butanediol is produced or used. Monitoring data indicate that the general population may be exposed to 1,4-butanediol via dermal contact with personal care products and inhalation of cigarette smoke condensate. Limited general exposure may occur with its use as an illicit drug. 1,4-Butanediol's production and use as a solvent, humectant, cross-linking agent in polyurethane elastomers, and an intermediate for plasticizers, and in the manufacture of pharmaceuticals, tetrahydrofuran, and terephthalate plastics may result in its release to the environment through various waste streams. According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere, 1,4-butanediol, which has a vapor pressure of 0.0105 mm Hg at 25 °C, is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,4-butanediol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 10 hours, calculated from its rate constant of 3.67X10-11 cu cm/molecule-sec. 1,4-Butanediol does not contain chromophores that absorb at wavelengths >290 nm and, therefore, is not expected to be susceptible to direct photolysis by sunlight. The rate constant for the vapor-phase reaction of 1,4-butanediol with photochemically-produced hydroxyl radicals has been reported as 3.67X10-11 cu cm/molecule-sec at 25 °C. This corresponds to an atmospheric half-life of about 10 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm. 1,4-Butanediol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions. 1,4-Butanediol does not contain chromophores that absorb at wavelengths >290 nm and, therefore, is not expected to be susceptible to direct photolysis by sunlight. NIOSH (NOES Survey 1981-1983) has statistically estimated that 16,811 workers (3870 of these are female) were potentially exposed to 1,4-butanediol in the US. Occupational exposure to 1,4-butanediol may occur through inhalation and dermal contact with this compound at workplaces where 1,4-butanediol is produced or used. Monitoring data indicate that the general population may be exposed to 1,4-butanediol via dermal contact with personal care products and inhalation of cigarette smoke condensate. Limited exposure may occur with its use as an illicit drug. 1,4-Butanediol is a chemical. 1,4-Butanediol is used industrially to make floor stripper, paint thinner, and other solvent products. It is sometimes used in supplements as a substitute for illegal substances such as gamma butyrolactone (GBL) and gamma hydroxybutyrate (GHB). Unfortunately, butanediol is just as dangerous as GBL and GHB. 1,4-Butanediol is used for muscle strength, obesity, insomnia, and to increase the production of growth hormone, but there is no good scientific evidence to support any use. How does 1,4-Butanediol work ? 1,4-Butanediol is converted to gamma hydroxybutyrate (GHB) in the body. GHB slows down the brain, which can cause loss of consciousness along with dangerous slowing of breathing and other vital functions. It also stimulates growth hormone secretion.
1,4-BUTANEDIOL

1,4-Butanediol is a colorless and viscous liquid.
1,4-Butanediol has a slightly sweet taste.
The chemical formula of 1,4-Butanediol is C₄H₁₀O₂.

CAS Number: 110-63-4
EC Number: 203-786-5



APPLICATIONS


1,4-Butanediol is used as a solvent in the formulation of printing inks for flexographic and gravure printing processes.
1,4-Butanediol is employed in the production of polyesters, alkyd resins, and urethane coatings for paints, varnishes, and protective coatings.

1,4-Butanediol finds application in the production of electrical and electronic components, including circuit boards and connectors.
1,4-Butanediol is utilized in water treatment chemicals to aid in the removal of impurities and improve water quality.

1,4-Butanediol is involved in the manufacturing of industrial lubricants to reduce friction and ensure smooth machinery operation.
1,4-Butanediol is used in certain 3D printing processes, such as SLA and DLP printers, for the formulation of resins.
1,4-Butanediol can be found in personal protective equipment (PPE) items like gloves, goggles, and face shields.

1,4-Butanediol is used in adhesive removers and cleaning products designed to dissolve and remove adhesives and sticky residues.
1,4-Butanediol is employed in the formulation of agricultural products such as pesticides, herbicides, and insecticides.

1,4-Butanediol is involved in metalworking applications, including the production of metal cutting fluids and coolants for machining processes.
1,4-Butanediol is used in the manufacturing of construction materials such as sealants, caulks, and grouts.

1,4-Butanediol finds application in waste treatment processes for the degradation and detoxification of organic pollutants.
1,4-Butanediol is used in the production of spandex fibers, providing elasticity and stretchability for textiles.

1,4-Butanediol is utilized in the synthesis of polyurethane foams, elastomers, coatings, and adhesives.
1,4-Butanediol serves as a precursor in the production of polybutylene terephthalate (PBT), a material used in fibers, films, and engineering thermoplastics.
It is involved in the production of automotive components like dashboards, bumpers, and interior trims.

1,4-Butanediol is used in the formulation of personal care products such as moisturizers, hair care products, and cosmetics.
1,4-Butanediol serves as a starting material in the synthesis of certain pharmaceutical drugs, including sedatives and anesthetics.

1,4-Butanediol can be used as a fuel additive to improve combustion efficiency and reduce emissions in gasoline and diesel engines.
1,4-Butanediol is employed as a flavoring agent or component in food packaging materials in the food and beverage industry.

1,4-Butanediol is used in the formulation of adhesives and sealants, providing strong bonding properties.
1,4-Butanediol is utilized in certain industrial cleaning products due to its solvent capabilities.
1,4-Butanediol is involved in the production of fibers and fabrics, including those used in textiles and apparel.

1,4-Butanediol serves as a precursor for the production of gamma-butyrolactone (GBL) and tetrahydrofuran (THF), which find applications in various industries.
1,4-Butanediol is utilized in the synthesis of chemicals and specialty compounds used in pharmaceuticals, cosmetics, and other sectors.

1,4-Butanediol is used in the production of synthetic fibers and fabrics, including those used in the textile and apparel industries.
1,4-Butanediol finds application as a component in automotive fluids such as brake fluids and coolant additives.

1,4-Butanediol is utilized in the formulation of specialty coatings, including high-performance coatings for industrial and commercial purposes.
1,4-Butanediol serves as a chemical intermediate in the production of pharmaceutical drugs, including sedatives, anesthetics, and antidepressants.

1,4-Butanediol is employed in the manufacturing of flexible packaging materials, ensuring durability and enhanced barrier properties.
1,4-Butanediol is used in the production of adhesives and sealants used in various industries, including construction and manufacturing.

1,4-Butanediol finds application in the production of polyols, which are essential components in the formulation of polyurethane foams.
It is involved in the production of synthetic leather, providing durability and a leather-like texture.
1,4-Butanediol is used in the formulation of cleaning agents and solvents for household and industrial purposes.

1,4-Butanediol serves as a component in fuel systems additives to enhance fuel efficiency and performance.
1,4-Butanediol is employed in the production of elastomers used in the manufacturing of gaskets, O-rings, and seals.

1,4-Butanediol is used in the production of thermoplastic polyurethanes (TPUs), which find applications in footwear, sporting goods, and medical devices.
1,4-Butanediol finds application in the production of corrosion inhibitors used to protect metal surfaces in various industries.

1,4-Butanediol is utilized in the production of water-based coatings and paints, offering environmentally friendly alternatives to solvent-based formulations.
1,4-Butanediol is used in the synthesis of antioxidants and UV stabilizers used in the formulation of plastics and polymers.
1,4-Butanediol serves as a component in hydraulic fluids, ensuring efficient power transmission and lubrication in hydraulic systems.

1,4-Butanediol is employed in the production of resin intermediates used in the synthesis of epoxy resins.
1,4-Butanediol is used in the formulation of personal care products such as lotions, creams, and shower gels.

1,4-Butanediol finds application as a component in heat transfer fluids used in HVAC systems and industrial processes.
1,4-Butanediol is utilized in the production of polymer additives that enhance flame retardancy properties in various materials.

1,4-Butanediol serves as a component in inkjet inks, providing good solvency and print quality.
1,4-Butanediol finds application in the formulation of flavors and fragrances used in the food, beverage, and cosmetic industries.
1,4-Butanediol is used in the production of plasticizers, which improve flexibility and durability in plastic materials.

1,4-Butanediol serves as a component in mold release agents used in plastic and rubber molding processes.
1,4-Butanediol is employed in the formulation of specialty chemicals used in electronics manufacturing, including solder fluxes and cleaning agents.


1,4-Butanediol (BDO) finds numerous applications in various industries. Here are some of its common uses:

Production of Plastics and Polymers:
1,4-Butanediol is a key ingredient in the synthesis of polybutylene terephthalate (PBT), which is used in the production of fibers, films, and engineering thermoplastics.

Manufacturing of Polyurethanes:
BDO is utilized in the production of polyurethane foams, elastomers, coatings, and adhesives.
1,4-Butanediol acts as a precursor in the formation of polyurethane polymers.

Solvent:
1,4-Butanediol serves as a solvent for various substances, including resins, dyes, and printing inks.
Its solvency properties make it useful in applications such as cleaning agents and industrial coatings.

Chemical Intermediate:
1,4-Butanediol is a versatile chemical intermediate that is further processed to produce other compounds.
1,4-Butanediol is converted into gamma-butyrolactone (GBL), tetrahydrofuran (THF), and other derivatives, which have applications in pharmaceuticals, cosmetics, and the manufacturing of specialty chemicals.

Textile Industry:
1,4-Butanediol is used in the production of fibers and fabrics, including spandex fibers that provide elasticity and stretchability.

Automotive Sector:
1,4-Butanediol is employed in the manufacturing of automotive components such as dashboards, bumpers, and interior trims.
1,4-Butanediol contributes to the production of high-performance plastics and coatings used in automobiles.

Personal Care and Cosmetics:
1,4-Butanediol is utilized in the formulation of personal care products such as moisturizers, hair care products, and cosmetics.

Pharmaceuticals:
1,4-Butanediol serves as a starting material in the synthesis of certain pharmaceutical drugs, including sedatives and anesthetics.

Fuel Additives:
1,4-Butanediol can be used as a fuel additive to improve combustion efficiency and reduce emissions in gasoline and diesel engines.

Food and Beverage Industry:
1,4-Butanediol is sometimes employed as a food additive, specifically as a flavoring agent or as a component in food packaging materials.

Adhesive Industry:
1,4-Butanediol is used in the formulation of adhesives and sealants, providing strong bonding properties.

Industrial Cleaning:
1,4-Butanediol is found in certain industrial cleaning products due to its solvent capabilities.

Printing Inks:
1,4-Butanediol is utilized as a solvent in the formulation of printing inks, including those used in flexographic and gravure printing processes.

Resins and Coatings:
1,4-Butanediol is used in the production of resins and coatings, including polyesters, alkyd resins, and urethane coatings.
These materials find application in paints, varnishes, and protective coatings.

Electrical and Electronics:
1,4-Butanediol is involved in the production of electrical and electronic components such as circuit boards, connectors, and insulating materials.

Water Treatment:
1,4-Butanediol can be used as a component in water treatment chemicals to aid in the removal of impurities and improve water quality.

Industrial Lubricants:
1,4-Butanediol is utilized in the manufacturing of industrial lubricants, ensuring smooth functioning and reducing friction in machinery and equipment.

3D Printing:
1,4-Butanediol is employed in certain types of 3D printing processes, particularly in the formulation of resins used for stereolithography (SLA) and digital light processing (DLP) printers.

Personal Protective Equipment (PPE):
1,4-Butanediol is used in the production of certain PPE items such as gloves, goggles, and face shields.

Adhesive Removers:
1,4-Butanediol can be found in adhesive removers and cleaning products designed to dissolve and remove adhesives, glue residues, and sticky substances.

Agriculture:
1,4-Butanediol is utilized in the formulation of agricultural products such as pesticides, herbicides, and insecticides.

Metal Processing:
1,4-Butanediol is involved in metalworking applications, including the production of metal cutting fluids and coolants used in machining and metal processing operations.

Construction Materials:
1,4-Butanediol can be used in the manufacturing of construction materials such as sealants, caulks, and grouts.

Waste Treatment:
1,4-Butanediol is employed in certain waste treatment processes, including the degradation and detoxification of organic pollutants.



DESCRIPTION


1,4-Butanediol (BDO) is a chemical compound with the formula C₄H₁₀O₂.
1,4-Butanediol belongs to a class of chemicals known as diols, which are organic compounds that contain two hydroxyl groups (-OH) attached to different carbon atoms.
1,4-Butanediol is a colorless, viscous liquid with a slightly sweet taste.

1,4-Butanediol is commonly used as a solvent in various industrial applications, including the manufacturing of plastics, polymers, and elastomers.
1,4-Butanediol is also utilized as a chemical intermediate in the production of other compounds.
1,4-Butanediol can undergo chemical reactions to form derivatives such as polybutylene terephthalate (PBT), gamma-butyrolactone (GBL), and tetrahydrofuran (THF), which have diverse applications in the pharmaceutical, textile, and automotive industries.

1,4-Butanediol is important to note that 1,4-Butanediol has also been misused as a recreational drug due to its effects on the central nervous system.
When ingested, 1,4-Butanediol can be converted into gamma-hydroxybutyrate (GHB), a controlled substance with sedative and euphoric properties.

The illicit use of 1,4-Butanediol for recreational purposes has led to concerns regarding its potential for abuse and adverse health effects.
Therefore, 1,4-Butanediol is regulated in many countries to prevent misuse.

1,4-Butanediol is a colorless and viscous liquid.
1,4-Butanediol has a slightly sweet taste.
The chemical formula of 1,4-Butanediol is C₄H₁₀O₂.
1,4-Butanediol is classified as a diol, belonging to a group of organic compounds.
1,4-Butanediol has two hydroxyl (-OH) groups attached to different carbon atoms.
1,4-Butanediol serves as a solvent in various industrial applications.
1,4-Butanediol is commonly used in the manufacturing of plastics, polymers, and elastomers.
1,4-Butanediol acts as a chemical intermediate in the production of other compounds.
The liquid form of 1,4-Butanediol makes it easy to handle and transport.
1,4-Butanediol exhibits good solubility in water and many organic solvents.
1,4-Butanediol has a boiling point of approximately 230°C (446°F).
1,4-Butanediol can undergo chemical reactions to form important derivatives like polybutylene terephthalate (PBT), gamma-butyrolactone (GBL), and tetrahydrofuran (THF).
These derivatives find applications in various industries such as pharmaceuticals, textiles, and automotive.
1,4-Butanediol is stable under normal conditions but can react with strong oxidizing agents.
1,4-Butanediol has a relatively low volatility, reducing the risk of inhalation exposure.
1,4-Butanediol has been used as a precursor in the synthesis of certain drugs and pharmaceuticals.
1,4-Butanediol is known for its ability to convert into gamma-hydroxybutyrate (GHB), a controlled substance with sedative properties.
The misuse of 1,4-Butanediol as a recreational drug has raised concerns about its potential for abuse and associated health risks.
1,4-Butanediol has been subject to regulatory measures in many countries to prevent its illicit use.
1,4-Butanediol is biodegradable, which contributes to its lower environmental impact.
1,4-Butanediol is considered to have low toxicity, but exposure to high concentrations can cause irritation.
1,4-Butanediol can be stored in sealed containers away from moisture and incompatible substances.
1,4-Butanediol is important to handle 1,4-Butanediol with proper safety precautions, including the use of personal protective equipment.
The global production and consumption of 1,4-Butanediol have steadily increased over the years.
Ongoing research focuses on finding sustainable production methods and exploring new applications for this versatile compound.



PROPERTIES


Physical Properties:

Chemical Formula: C₄H₁₀O₂
Molecular Weight: 90.12 g/mol
Appearance: Colorless to slightly yellow viscous liquid
Odor: Slight characteristic odor
Density: 1.006 g/cm³
Melting Point: 20.1°C (68.2°F)
Boiling Point: 230°C (446°F)
Flash Point: 121°C (250°F)
Solubility: Soluble in water and many organic solvents
Vapor Pressure: 0.04 mmHg at 20°C


Chemical Properties:

Functional Group: Diol (-OH)
Reactivity: 1,4-Butanediol can undergo various chemical reactions, including esterification, etherification, oxidation, and reduction.
Stability: It is generally stable under normal conditions but can react with strong oxidizing agents.
pH: Neutral (pH 7)
Flammability: 1,4-Butanediol is combustible.



FIRST AID


Inhalation:

If inhaled, remove the affected person to fresh air immediately.
If breathing is difficult, provide oxygen if available and seek medical attention.
Keep the person calm and in a comfortable position.


Skin Contact:

Remove contaminated clothing and shoes.
Rinse the affected area gently with plenty of water for at least 15 minutes.
If irritation or redness occurs, seek medical attention and provide information about the substance.


Eye Contact:

Rinse the eyes gently with water, keeping the eyelids open, for at least 15 minutes.
If contact lenses are present and can be easily removed, do so after the initial rinse.
Seek immediate medical attention, and provide information about the substance.


Ingestion:

If 1,4-Butanediol has been swallowed, do not induce vomiting unless directed to do so by medical personnel.
Rinse the mouth with water if the person is conscious and able to do so safely.
Seek immediate medical attention and provide information about the substance.
Do not give anything by mouth to an unconscious person.


Note: It is important to provide the medical personnel with all relevant information about the substance, including its name, composition, and any other necessary details for proper evaluation and treatment.


General First Aid Measures:

Ensure personal safety before providing assistance to others.
If a person shows signs of discomfort or distress, seek medical attention promptly.
If possible, have the product container or label available for the medical personnel.
Follow the advice given by medical professionals and provide support as needed.



HANDLING AND STORAGE


Handling:

Personal Protective Equipment (PPE):
Wear appropriate protective clothing, including chemical-resistant gloves, safety goggles or face shield, and protective clothing to prevent skin contact and eye exposure.

Ventilation:
Ensure adequate ventilation in the handling area to minimize the potential for inhalation of vapors.

Handling Precautions:
Handle with care to prevent spills or leaks. Use proper handling equipment, such as pumps or pipettes, to minimize the risk of contact.

Avoidance of Open Flames:
Keep away from open flames, sparks, and sources of ignition, as 1,4-Butanediol is flammable.

No Smoking:
Prohibit smoking in areas where the substance is handled, as it can form flammable vapors.

Static Electricity:
Take precautions to prevent the buildup of static electricity, as it can create ignition hazards.
Use grounded equipment and containers.

Preventive Measures:
Avoid contact with incompatible materials, strong oxidizing agents, and acids.


Storage:

Suitable Containers:
Store 1,4-Butanediol in tightly closed, properly labeled containers made of compatible materials such as stainless steel, high-density polyethylene (HDPE), or glass.

Container Integrity:
Ensure the integrity of the containers to prevent leaks or spills.

Temperature Control:
Store in a cool, well-ventilated area away from heat sources and direct sunlight.
Maintain the temperature below the material's flash point.

Separation:
Keep away from incompatible substances, including strong oxidizing agents, acids, and alkalis.

Moisture Protection:
Protect from moisture and water sources to prevent contamination and degradation.

Storage Conditions:
Store away from food, beverages, and animal feed.
Do not store near living quarters or areas where food is prepared.

Secure Storage:
Keep containers securely upright and stable to prevent tipping or falling.

Handling Precautions:
Follow good hygiene practices when handling the substance, including thorough hand washing after handling and before eating, drinking, or smoking.


Emergency Preparedness:

Spill and Leak Response:
In the event of a spill or leak, contain the material and prevent it from entering waterways or sewer systems.
Use appropriate absorbent materials and equipment for cleanup.

Fire Hazards:
In the event of a fire involving 1,4-Butanediol, use appropriate extinguishing agents suitable for the surrounding fire and follow standard fire-fighting procedures.

Emergency Response Information:
Keep emergency contact information readily available, including relevant local emergency response numbers and poison control centers.

Note: It is important to follow local regulations and guidelines for the safe handling, storage, and transportation of 1,4-Butanediol.



SYNONYMS


Butylene glycol
Tetramethylene glycol
1,4-Dihydroxybutane
1,4-Butylene glycol
1,4-Butylene alcohol
1,4-BD
BDO
1,4-Butylene glycol
Tetramethylene glycol
1,4-Dihydroxybutane
Butane-1,4-diol
Butane-1,4-diol
1,4-Butylene alcohol
Butylene glycol
Tetramethylene diol
1,4-Butylene glycol
1,4-Butane diol
Tetramethylene 1,4-diol
1,4-Butanediol
Butane-1,4-diol
1,4-Butanediol
Tetrahydroxybutane
1,4-Dihydroxybutane
1,4-Butylene glycol
Butylene diol
B4D
Butandiol
Butane diol
Butylenglykol
Dihydroxybutane
THB
1,4-Dihydroxybutane
1,4-Butylene alcohol
Butylene glycol
Butylene diol
Tetramethylene glycol
Tetramethylene diol
Butane-1,4-diol
Butanediol
1,4-BD
BDOH
1,4-Butanediol
Butandiol
Tetrahydroxybutane
B4D
Butan-1,4-diol
Butylenglycol
Butylenglykol
Dihydroxybutane
Butane-1,4-diol
1,4-Dihydroxybutane
1,4-Butanediol
Tetrahydroxybutane
Butylene glycol
Tetrahydroxybutane
Butanediol

1,4-BUTANEDIOL (BDO)

1,4-Butanediol (BDO) is a chemical compound with the molecular formula C4H10O2.
1,4-Butanediol (BDO) belongs to the class of diols, which are compounds containing two hydroxyl (OH) groups.
The "1,4" in its name indicates the positions of the hydroxyl groups on the butane molecule.
1,4-Butanediol (BDO) is a colorless and odorless liquid at room temperature.

CAS Number: 110-63-4
EC Number: 203-786-5

1,4-Butylene glycol, Tetramethylene glycol, Butane-1,4-diol, 1,4-Dihydroxybutane, 1,4-Butylene alcohol, BDO, Sucol B, Butylene glycol, 1,4-Dihydroxybutane, 1,4-Tetramethylene glycol, 1,4-Butanediol, 1,4-Butylene glycol, 1,4-Butylene alcohol, Tetramethylene glycol, Tetramethylene alcohol, 1,4-Butanediol, 1,4-Butylene glycol, 1,4-Dihydroxybutane, Tetramethylene glycol, Butane-1,4-diol, 1,4-Tetramethylene glycol, BDO, 1,4-Butylene alcohol, Sucol B, 1,4-Butanediol, 1,4-Butylene glycol, Tetramethylene glycol, Butane-1,4-diol, 1,4-Dihydroxybutane, 1,4-Butylene alcohol, BDO, Sucol B, Butylene glycol, 1,4-Dihydroxybutane, 1,4-Tetramethylene glycol, 1,4-Butanediol, 1,4-Butylene glycol, 1,4-Butylene alcohol, Tetramethylene glycol, Tetramethylene alcohol, 1,4-Butanediol, 1,4-Butylene glycol, 1,4-Dihydroxybutane, Tetramethylene glycol, Butane-1,4-diol, 1,4-Tetramethylene glycol, BDO, 1,4-Butylene alcohol, Sucol B.



APPLICATIONS


1,4-Butanediol (BDO) is widely employed in the production of polyurethane, a versatile polymer used in foams, coatings, and adhesives.
1,4-Butanediol (BDO) serves as a precursor for the synthesis of gamma-butyrolactone (GBL), a solvent with various industrial applications.

1,4-Butanediol (BDO) is a crucial component in the manufacturing of certain types of resins and plastics.
1,4-Butanediol (BDO) plays a significant role in the production of elastane fibers, contributing to the textile industry.
1,4-Butanediol (BDO) is utilized in the creation of pharmaceuticals and cosmetics due to its solubility in water and other solvents.
1,4-Butanediol (BDO) is employed in the formulation of flexible foams for diverse applications such as mattresses and car interiors.

1,4-Butanediol (BDO) is used in the development of polymeric materials, enhancing their strength and durability.
1,4-Butanediol (BDO) acts as a building block in the synthesis of copolyesters, which find applications in films and packaging materials.
1,4-Butanediol (BDO) is utilized in the creation of coatings for various surfaces, providing protective and decorative layers.

1,4-Butanediol (BDO) serves as a key ingredient in the formulation of certain types of antifreeze and deicing solutions.
1,4-Butanediol (BDO) is employed in the production of lubricants to improve the performance and longevity of machinery.
1,4-Butanediol (BDO)'s hygroscopic properties make it suitable for applications requiring moisture absorption.

1,4-Butanediol (BDO) is utilized in the creation of polymeric materials for the automotive industry, including bumpers and interior components.
1,4-Butanediol (BDO) is an essential component in the synthesis of thermoplastic polyesters used in engineering plastics.
1,4-Butanediol (BDO) is involved in the production of polybutylene terephthalate (PBT), a thermoplastic resin.

1,4-Butanediol (BDO) is employed in the formulation of cleaning agents and detergents.
1,4-Butanediol (BDO) finds application in the creation of corrosion inhibitors to protect metal surfaces.

1,4-Butanediol (BDO) is used as a solvent in various industrial processes, contributing to the pharmaceutical and chemical industries.
1,4-Butanediol (BDO) plays a role in the synthesis of polyvinylpyrrolidone (PVP), a polymer used in pharmaceuticals and personal care products.

1,4-Butanediol (BDO) is employed in the development of polymeric materials for electronic applications, such as insulating materials and circuit boards.
1,4-Butanediol (BDO) is utilized in the production of polyesters for the textile industry.
BDO is involved in the creation of waterborne polyurethane dispersions, used in coatings and adhesives.

1,4-Butanediol (BDO) serves as a reactant in the synthesis of certain types of biodegradable polymers.
The chemical is utilized in the formulation of ink and printing materials.
1,4-Butanediol (BDO) finds application in the creation of specialty chemicals and high-performance materials.

1,4-Butanediol (BDO) is a key ingredient in the production of polyethylene terephthalate (PET), commonly used in the manufacture of plastic bottles.
1,4-Butanediol (BDO) is utilized in the creation of composite materials, enhancing the strength and durability of the final product.
1,4-Butanediol (BDO) serves as a reactant in the synthesis of liquid crystal polymers, which find applications in electronic devices and high-performance materials.

1,4-Butanediol (BDO) is involved in the formulation of hydraulic fluids and brake fluids for automotive and industrial applications.
1,4-Butanediol (BDO) plays a role in the development of polymeric materials for the construction industry, including sealants and coatings.

1,4-Butanediol (BDO) is employed in the creation of inkjet inks, contributing to the printing industry.
1,4-Butanediol (BDO) is used in the production of adhesives and sealants for various applications, including construction and packaging.
1,4-Butanediol (BDO) is a component in the formulation of polymeric materials used in medical devices, such as catheters and tubing.

1,4-Butanediol (BDO) finds application in the creation of plasticizers, enhancing the flexibility and resilience of polymers.
1,4-Butanediol (BDO) is utilized in the synthesis of polyurethane foams for insulation purposes in buildings and refrigeration.
1,4-Butanediol (BDO) is involved in the creation of specialty chemicals for the agriculture industry, including herbicides and pesticides.

1,4-Butanediol (BDO) is used in the production of fuel additives to improve combustion efficiency.
1,4-Butanediol (BDO) serves as a building block in the development of polymeric materials for the aerospace industry, including lightweight composites.

1,4-Butanediol (BDO) is employed in the formulation of inkjet printing fluids, contributing to high-quality printing.
1,4-Butanediol (BDO) plays a role in the synthesis of thermoplastic polyurethanes (TPU) used in the production of films, hoses, and medical devices.
1,4-Butanediol (BDO) is utilized in the creation of polymeric materials for the packaging industry, including films and laminates.

1,4-Butanediol (BDO) finds application in the development of coatings for textiles and fabrics, providing water repellency and durability.
1,4-Butanediol (BDO) is used in the production of polymeric materials for the electrical and electronics industry, including wire insulation.
1,4-Butanediol (BDO) is involved in the creation of waterborne coatings, reducing environmental impact compared to traditional solvent-based coatings.

1,4-Butanediol (BDO) is utilized in the formulation of corrosion-resistant coatings for metal surfaces.
1,4-Butanediol (BDO) plays a role in the synthesis of polymeric materials for 3D printing applications.

1,4-Butanediol (BDO) is employed in the production of biodegradable polymers for environmentally friendly packaging.
1,4-Butanediol (BDO) is used in the creation of resin systems for composite materials in the marine industry.
1,4-Butanediol (BDO) serves as a reactant in the synthesis of thermoplastic elastomers used in footwear and sporting goods.
1,4-Butanediol (BDO) finds application in the development of polymeric materials for the automotive industry, including bumpers, dashboards, and interior components.

1,4-Butanediol (BDO) is employed in the formulation of ink and dye carriers in the printing industry.
1,4-Butanediol (BDO) plays a role in the creation of water-based polyurethane dispersions used in coatings and adhesives.
1,4-Butanediol (BDO) is utilized in the synthesis of specialty chemicals for the production of fragrances and flavorings.

1,4-Butanediol (BDO) serves as a reactant in the manufacture of biodegradable plastics, contributing to sustainable packaging solutions.
1,4-Butanediol (BDO) is involved in the production of epoxy resins, which are widely used in coatings, adhesives, and electronic materials.
1,4-Butanediol (BDO) is used in the development of high-performance lubricants, enhancing the efficiency of machinery.

1,4-Butanediol (BDO) finds application in the creation of solvents for various industrial processes, including paint and coating formulations.
1,4-Butanediol (BDO) is employed in the production of flame retardants for textiles and polymers.

1,4-Butanediol (BDO) is utilized in the synthesis of polymeric materials for the construction of water-resistant membranes.
1,4-Butanediol (BDO) plays a role in the formulation of personal care products, such as skin creams and lotions.

1,4-Butanediol (BDO) is involved in the creation of specialty polymers for the electronics industry, including insulating materials.
1,4-Butanediol (BDO) is used in the production of adhesives for laminating flexible packaging materials.

1,4-Butanediol (BDO) serves as a building block in the synthesis of thermoplastic polyurethane elastomers, used in footwear and automotive applications.
1,4-Butanediol (BDO) finds application in the creation of mold release agents for the manufacturing of plastic and rubber components.

1,4-Butanediol (BDO) is employed in the formulation of coolants and antifreeze solutions for automotive and industrial systems.
1,4-Butanediol (BDO) is utilized in the creation of color developers for thermal paper used in printing receipts.
1,4-Butanediol (BDO) plays a role in the synthesis of polymeric materials for the aerospace industry, including lightweight composites.

1,4-Butanediol (BDO) is involved in the production of inkjet printing fluids for high-resolution and durable prints.
1,4-Butanediol (BDO) is used in the development of electrolyte solutions for lithium-ion batteries.

1,4-Butanediol (BDO) serves as a component in the formulation of hydraulic fluids for various industrial applications.
1,4-Butanediol (BDO) plays a role in the creation of corrosion inhibitors to protect metal surfaces from degradation.
1,4-Butanediol (BDO) is employed in the synthesis of specialty resins for the coating of electronic components.

1,4-Butanediol (BDO) finds application in the creation of pigment dispersants for use in paints and coatings.
1,4-Butanediol (BDO) is used in the production of polymeric materials for the automotive industry, including sound-dampening materials.
1,4-Butanediol (BDO) serves as a reactant in the synthesis of polyvinylpyrrolidone (PVP), a polymer used in pharmaceuticals and personal care products.



DESCRIPTION


1,4-Butanediol (BDO) is a chemical compound with the molecular formula C4H10O2.
1,4-Butanediol (BDO) belongs to the class of diols, which are compounds containing two hydroxyl (OH) groups.
The "1,4" in its name indicates the positions of the hydroxyl groups on the butane molecule.
1,4-Butanediol (BDO) is a colorless and odorless liquid at room temperature.

1,4-Butanediol (BDO) is used in various industrial applications, including the production of certain plastics, polyurethanes, and synthetic fibers.
Additionally, 1,4-butanediol is a precursor in the synthesis of gamma-hydroxybutyrate (GHB), a central nervous system depressant that has been used recreationally.
Due to its potential for misuse and health risks, there are regulatory controls in place for its sale and distribution in some regions.
It's essential to handle and use 1,4-butanediol with caution and in accordance with applicable regulations and safety guidelines.

1,4-Butanediol (BDO) is a colorless and odorless liquid.
1,4-Butanediol (BDO) is a diol with two hydroxyl groups on a butane molecule.

1,4-Butanediol (BDO) is commonly used in the production of plastics.
1,4-Butanediol (BDO) serves as a crucial precursor in the synthesis of polyurethanes.
1,4-Butanediol (BDO) formula for 1,4-butanediol is C4H10O2.
1,4-Butanediol (BDO) finds application in the manufacturing of synthetic fibers.

As a tetramethylene glycol, it plays a role in the creation of elastane fibers.
BDO is soluble in water, enhancing its versatility in various industrial processes.
The European Community Number for 1,4-butanediol is 203-786-5.

1,4-Butanediol (BDO) has a CAS Registry Number of 110-63-4 for accurate identification.
1,4-Butanediol (BDO) is utilized in the production of certain types of resins.
1,4-Butanediol (BDO) exhibits hygroscopic properties, absorbing moisture from the air.
Due to its potential misuse, regulatory controls are in place for its distribution.

1,4-Butanediol (BDO) is involved in the synthesis of gamma-hydroxybutyrate (GHB).
1,4-Butanediol (BDO) is a key ingredient in the creation of pharmaceuticals and cosmetics.

1,4-Butanediol (BDO) is known by various trade names, including Tetramethylene glycol.
1,4-Butanediol (BDO) has a relatively low freezing point and high boiling point.
1,4-Butanediol (BDO) is an essential component in the formulation of polymeric materials.

1,4-Butanediol can act as a solvent in certain industrial processes.
1,4-Butanediol (BDO) is classified as a diol due to its two hydroxyl functional groups.
1,4-Butanediol (BDO) exhibits reactivity with various chemicals, making it versatile in synthesis.

1,4-Butanediol (BDO)'s structure consists of a linear butane chain with two alcohol groups.
1,4-Butanediol (BDO) is used in the creation of polyesters for coatings and adhesives.
1,4-Butanediol (BDO)'s chemical properties contribute to its role in the production of flexible foams.
1,4-Butanediol (BDO) is subject to safety precautions and handling guidelines in industrial settings.



PROPERTIES


Physical Properties:

Molecular Formula: C4H10O2
Molecular Weight: 90.12 g/mol
Physical State: Liquid
Color: Colorless
Odor: Odorless
Density: 1.017 g/cm³ (at 20°C)
Melting Point: 20.1°C
Boiling Point: 235°C
Solubility: Soluble in water and miscible with many organic solvents.


Chemical Properties:

Chemical Structure: Linear butane chain with two hydroxyl (OH) groups.
Functional Groups: Diol (two hydroxyl groups)
Reactivity: Reacts with various chemicals, making it versatile in synthesis.
Hygroscopicity: Exhibits hygroscopic properties, absorbing moisture from the air.


Thermal Properties:

Flash Point: Approximately 135°C (closed cup)
Autoignition Temperature: Not readily available.



FIRST AID


Inhalation:

Move to Fresh Air:
If inhalation exposure occurs, immediately move the affected person to an area with fresh air.

Seek Medical Attention:
If symptoms persist or worsen, seek medical attention promptly.
In severe cases, call emergency services.


Skin Contact:

Remove Contaminated Clothing:
If 1,4-butanediol comes into contact with the skin, quickly and gently remove contaminated clothing.

Wash Skin:
Wash the affected skin area with plenty of water and mild soap for at least 15 minutes.

Seek Medical Attention:
If irritation, redness, or other adverse reactions occur, seek medical attention.


Eye Contact:

Flush Eyes:
In case of eye contact, immediately flush the eyes with gently flowing lukewarm water for at least 15 minutes.
Hold the eyelids open to ensure thorough rinsing.

Remove Contact Lenses:
If applicable, remove contact lenses after the initial flush.

Seek Medical Attention:
Seek immediate medical attention if irritation, redness, or pain persists.


Ingestion:

Do Not Induce Vomiting:
If 1,4-butanediol is ingested, do not induce vomiting unless directed to do so by medical personnel.

Rinse Mouth:
Rinse the mouth thoroughly with water.

Seek Medical Attention:
Contact a poison control center or seek medical attention immediately.
Provide as much information as possible about the substance ingested.


General First Aid Measures:

Personal Protection:
Always wear appropriate personal protective equipment (PPE) when handling 1,4-butanediol.

First Aid Training:
Ensure that individuals providing first aid are trained in the appropriate procedures.

Medical Attention:
If there is any doubt or concern about the severity of exposure, seek medical attention promptly.

Note for First Responders:
Provide information about the chemical to emergency responders, including its CAS number (110-63-4) and any relevant safety data.



HANDLING AND STORAGE


Handling:

Personal Protective Equipment (PPE):
Wear appropriate PPE, including chemical-resistant gloves, safety goggles, and protective clothing, to prevent skin and eye contact.
Use respiratory protection if ventilation is inadequate or if exposure levels exceed recommended limits.

Ventilation:
Ensure adequate ventilation in the working area to prevent the buildup of vapors.
Use local exhaust ventilation if possible.
If ventilation is insufficient, use respiratory protection devices approved for the specific chemical.

Avoid Contact:

Avoid skin and eye contact with 1,4-butanediol.
In case of contact, follow the recommended first aid measures and seek medical attention if necessary.

Avoid Ingestion:
Do not eat, drink, or smoke while handling the chemical.
Wash hands thoroughly after handling to minimize the risk of accidental ingestion.

Handling Precautions:
Follow good industrial hygiene practices.
Avoid generating mists or aerosols.
Prevent spills and leaks.
Clean up spills immediately using appropriate absorbent materials.


Storage:

Storage Conditions:
Store 1,4-butanediol in a cool, dry, and well-ventilated area.
Keep away from heat sources, open flames, and direct sunlight.

Temperature Control:
Store the chemical at temperatures within the specified range provided by the manufacturer.
Check for any temperature-sensitive requirements on the safety data sheet (SDS).

Containers:
Use containers made of compatible materials, such as stainless steel or high-density polyethylene (HDPE).
Ensure containers are tightly closed and properly labeled with the necessary hazard information.

Separation from Incompatible Materials:
Store 1,4-butanediol away from incompatible substances, including strong acids, strong bases, oxidizing agents, and reducing agents.

Avoid Contamination:
Prevent contamination of the chemical by keeping storage areas clean and free from incompatible materials.

Storage Quantity:
Limit the quantity of stored material to the necessary amount for operations to minimize potential hazards.

Special Considerations:
If the substance is used in a laboratory or industrial setting, adhere to any specific storage recommendations provided in the laboratory procedures or industrial guidelines.

Monitoring:
Implement regular monitoring of storage areas to ensure compliance with safety and environmental regulations.

Emergency Response:
Have appropriate emergency response equipment and materials readily available, such as spill control kits and emergency eyewash stations.

Training:
Ensure that personnel handling and storing 1,4-butanediol are adequately trained in safe practices and emergency response procedures.
1,4-Cyclohexane Dimethanol
1,4-Cyclohexane Dimethanol; trans-1,4-Cyclohexanedimethanol; CHDM; 1,4-dibenzoate; 1,4-Cyclohexanedimethanol dibenzoate CAS NO :105-08-8
1,4-Cyclohexanedicarboxylic Acid
1,4-Cyclohexanedicarboxylic Acid; trans-1,4-Cyclohexanedicarboxylic acid; cyclohexane CAS NO : 1076-97-7
1,5-PENTANEDIOATE
1,5-pentanedioate is a linear dicarboxylic acid.
On exposure to X-rays, 1,5-pentanedioate crystals generate two stable free radicals.
1,5-pentanedioate is formed as an intermediate during the catabolism of lysine in mammals.

CAS Number: 110-94-1
EC Number: 203-817-2
Chemical formula: C5H8O4
Molar mass: 132.12 g/mol

Synonyms: GLUTARIC ACID, Pentanedioic acid, 110-94-1, 1,5-Pentanedioic acid, glutarate, 1,3-Propanedicarboxylic acid, Pentandioic acid, n-Pyrotartaric acid, propane-1,3-dicarboxylic acid, UNII-H849F7N00B, CHEBI:17859, MFCD00004410, Carboxylic acids, C6-18 and C5-15-di-, NSC9238, H849F7N00B, DSSTox_CID_1654, DSSTox_RID_76266, DSSTox_GSID_21654, CAS-110-94-1, HSDB 5542, NSC 9238, EINECS 203-817-2, BRN 1209725, Glutarsaeure, Pentandioate, AI3-24247, 1czc, 1,5-Pentanedioate, Glutaric acid, 99%, 4lh3, 1,3-Propanedicarboxylate, WLN: QV3VQ, (C4-C6) Dibasic acids, pentanedioate;Glutaric acid, bmse000406, Glutaric Acid and Anhydride, SCHEMBL7414, 4-02-00-01934, Pentanedioic acid Glutaric acid, Carboxylic acids, di-, C4-6, CHEMBL1162495, DTXSID2021654, ZINC388706, NSC-9238, Tox21_202448, Tox21_302871, BDBM50485550, s3152, AKOS000118800, CS-W009536, DB03553, HY-W008820, LS41863, MCULE-4286022994, NCGC00249226-01, NCGC00256456-01, NCGC00259997-01, 68937-69-9, AS-13132, BP-21143, H402, SY029948, FT-0605446, G0069, G0245, C00489, D70283, A802271, Q409622, Glutaric Acid (ca. 50% in Water, ca. 4.3mol/L), J-011915, Q-201163, Z57127454, 78FA13BF-E0C0-4EFC-948C-534CF45044E3, F2191-0242, Glutaric acid, certified reference material, TraceCERT(R), Glutaric acid, 1,3-Propanedicarboxylate, 1,5-Pentanedioate, 1,5-Pentanedioic acid, 110-94-1, 1209725, 203-817-2, Acide glutarique, Glutarsäure, hydrogen glutarate, MFCD00004410, n-Pyrotartaric acid, Pentanedioic acid, 1,3-PROPANEDICARBOXYLIC ACID, 111-16-0
154184-99-3, 19136-99-3, 203-817-2MFCD00004410, 271-678-5, 273-081-5, 4-02-00-01934, 43087-19-0, 68603-87-2, 8937-69-9, 8065-59-6 , Glutaric acid (Pentanedioic acid), glutaric acid, reagent, Gua, hydron, Pentandioate, Pentandioic acid, pentanedioate, Pentanedioic-2,2,4,4-d4 Acid, Pentanedioic-3,3-d2 Acid, Pentanedioic-d6 Acid, Propane-1,3-dicarboxylic acid, Propane-1,3-dicarboxylic acid|Pentanedioic acid,Glutaric acid, WLN: QV3VQ

1,5-pentanedioate (Pentanedioic Acid) is a linear dicarboxylic acid.
1,5-pentanedioate has been prepared by oxidizing cyclopentane, cyclopentanol and cyclopentanone.

1,5-pentanedioate is a pentanedioic acid.
On exposure to X-rays, 1,5-pentanedioate crystals generate two stable free radicals.

These free radicals have been investigated by electron nuclear double resonance (ENDOR) technique.
Presence of 1,5-pentanedioate in urine and plasma is an indicator of type I 1,5-pentanedioateuria (GA-I).

1,5-pentanedioate is formed as an intermediate during the catabolism of lysine in mammals.
Electron spin resonance spectra of radical (CO2H)CH2CH2CH(CO2H formed in 1,5-pentanedioate crystal after γ-irradiation is reported to remains trapped in 1,5-pentanedioate.
Polymorphism of Glycine-1,5-pentanedioate co-crystals has been studied by single crystal X-ray diffraction and Raman spectroscopy.

1,5-pentanedioate is a simple five-carbon linear dicarboxylic acid.
1,5-pentanedioate is naturally produced in the body during the metabolism of some amino acids, including lysine and tryptophan.

1,5-pentanedioate may cause irritation to the skin and eyes.
When present in sufficiently high levels, 1,5-pentanedioate can act as an acidogen and a metabotoxin.

An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems.
A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels.

Chronically high levels of 1,5-pentanedioate are associated with at least three inborn errors of metabolism, including 1,5-pentanedioateuria type I, malonyl-CoA decarboxylase deficiency, and 1,5-pentanedioateuria type III.
1,5-pentanedioateuria type I (1,5-pentanedioateemia type I, glutaryl-CoA dehydrogenase deficiency, GA1, or GAT1) is an inherited disorder in which the body is unable to completely break down the amino acids lysine, hydroxylysine, and tryptophan due to a deficiency of mitochondrial glutaryl-CoA dehydrogenase (EC 1.3.99.7, GCDH).

Excessive levels of their intermediate breakdown products (e.g. 1,5-pentanedioate, glutaryl-CoA, 3-hydroxy1,5-pentanedioate, glutaconic acid) can accumulate and cause damage to the brain (and also other organs).
Babies with 1,5-pentanedioateemia type I are often born with unusually large heads (macrocephaly).

Macrocephaly is amongst the earliest signs of GA1.
GA1 also causes secondary carnitine deficiency because 1,5-pentanedioate, like other organic acids, is detoxified by carnitine.

Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis.
Acidosis typically occurs when arterial pH falls below 7.35.

In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy).
These can progress to heart, liver, and kidney abnormalities, seizures, coma, and possibly death.

These are also the characteristic symptoms of untreated 1,5-pentanedioateuria.
Many affected children with organic acidemias experience intellectual disability or delayed development.

In adults, acidosis or acidemia is characterized by headaches, confusion, feeling tired, tremors, sleepiness, and seizures.
Treatment of 1,5-pentanedioateuria is mainly based on the restriction of lysine intake, supplementation of carnitine, and an intensification of therapy during intercurrent illnesses.

The major principle of dietary treatment is to reduce the production of 1,5-pentanedioate and 3-hydroxy1,5-pentanedioate by restriction of natural protein, in general, and of lysine, in particular.
1,5-pentanedioate has also been found in Escherichia

1,5-pentanedioate is an alpha,omega-dicarboxylic acid which has simple 5 carbon linear dicarboxylic acid (HO2C−R−CO2H).
The molecular or chemical formula of 1,5-pentanedioate is C5H8O4.

When pentanedioic acid is present in a high amount 1,5-pentanedioate acts as a metabotoxin and as an acidogen.
1,5-pentanedioate can be synthesized by the following process

The ring-opening of butyrolactone (C4H6O2) with potassium cyanide (KCN) to produce potassium carboxylate-nitrile.
1,5-pentanedioate is hydrolyzed further to diacid.

Oxidizing dihydropyran will produce 1,5-pentanedioate.
1,5-pentanedioate can also be synthesized by treating 1,3-dibromopropane with potassium or sodium cyanide to produce dinitrile.
Further, 1,5-pentanedioate is hydrolysed to obtain 1,5-pentanedioate.

1,5-pentanedioate is used as the raw material for organic synthesis, pharmaceutical intermediate and synthetic resin.
1,5-pentanedioate serves as a precursor in the production of polyester polyols, polyamides, ester plasticizers and corrosion inhibitors.

1,5-pentanedioate is useful to decrease polymer elasticity and in the synthesis surfactants and metal finishing compounds.
1,5-pentanedioate acts as an intermediate during the catabolism of lysine in mammals.

1,5-pentanedioate, also known as Glutaric acid or pentanedioic acid, belongs to the class of organic compounds known as dicarboxylic acids and derivatives.
These are organic compounds containing exactly two carboxylic acid groups.

1,5-pentanedioate exists in all living organisms, ranging from bacteria to humans.
1,5-pentanedioate is an odorless tasting compound.

1,5-pentanedioate has been detected, but not quantified in, several different foods, such as eddoes (Colocasia antiquorum), pitangas (Eugenia uniflora), narrowleaf cattails (Typha angustifolia), chicory leaves (Cichorium intybus var. foliosum), and wax apples (Eugenia javanica).
This could make 1,5-pentanedioate a potential biomarker for the consumption of these foods.
1,5-pentanedioate, with regard to humans, has been found to be associated with several diseases such as eosinophilic esophagitis and irritable bowel syndrome; 1,5-pentanedioate has also been linked to several inborn metabolic disorders including 1,5-pentanedioateuria I, 3-hydroxy-3-methylglutaryl-coa lyase deficiency, and short chain acyl-coa dehydrogenase deficiency.

1,5-pentanedioate is a dinucleotide phosphate that exists in two forms: the alpha form, which has a high phase transition temperature and is insoluble in water; and the beta form, which has a low phase transition temperature and is soluble in water.
1,5-pentanedioate can be used as an analytical reagent to identify the type of nucleotides present in samples.

1,5-pentanedioate can also be used as an experimental solvent for other compounds that are not soluble in water.
The toxicity of 1,5-pentanedioate has been studied extensively and found to be low.

This compound does not appear to have any adverse effects on human health or animals at doses up to 1g/kg body weight.
1,5-pentanedioate has been shown to have anti-infectious properties by inhibiting the growth of bacteria, fungi, and viruses.
The effectiveness of 1,5-pentanedioate against infectious diseases appears to depend on 1,5-pentanedioate ability to block protein synthesis by inhibiting enzymes such as glutathione reductase

1,5-pentanedioate is the organic compound with the formula C3H6(COOH).
Although the related "linear" dicarboxylic acids adipic and succinic acids are water-soluble only to a few percent at room temperature, the water-solubility of 1,5-pentanedioate is over 50% (w/w).

Physical Description of 1,5-pentanedioate:
1,5-pentanedioate appears as colorless crystals or white solid.

Applications of 1,5-pentanedioate:
1,5-pentanedioate may be employed as starting reagent in the synthesis of glutaric anhydride.
1,5-pentanedioate may be used for the following studies:

Complexation with DL-lysine.
Complexes have been reported to possess zwitterionic lysinium ions (positively charged) and semi-glutarate ions (negatively charged).

Synthesis of complexes with L-arginine and L-histidine.
Preparation of glycine-1,5-pentanedioate co-crystals.
Phase transition studies of these cocrystals have been reported by single-crystal X-ray diffraction, polarized Raman spectroscopy and differential scanning calorimetry.

1,5-pentanedioate is used as the raw material for organic synthesis, pharmaceutical intermediate and synthetic resin.
1,5-pentanedioate serves as a precursor in the production of polyester polyols, polyamides, ester plasticizers and corrosion inhibitors.

1,5-pentanedioate is useful to decrease polymer elasticity and in the synthesis surfactants and metal finishing compounds.
1,5-pentanedioate acts as an intermediate during the catabolism of lysine in mammals.

Uses of 1,5-pentanedioate:
We prepare 1, 5-Pentanediol that is a common plasticizer and a precursor to polyesters by hydrogenation of glutamic acid and 1,5-pentanedioate derivatives.
In addition, we use 1,5-pentanedioate itself in the production of polymers such as polyamides, and polyols.

Also, the odd number of the carbon atom that is 5 is very useful in decreasing the polymer elasticity.
Moreover, we get uvitonic acid by the action of ammonia on 1,5-pentanedioate.

Hydrogenation of 1,5-pentanedioate and 1,5-pentanedioate derivatives produces a placticizers.
Used to produce many polymers such as polyesters, polyamides.

1,5-Pentanediol, a common plasticizer and precursor to polyesters is manufactured by hydrogenation of 1,5-pentanedioate and 1,5-pentanedioate derivatives.
1,5-pentanedioate itself has been used in the production of polymers such as polyester polyols, polyamides.

The odd number of carbon atoms (i.e. 5) is useful in decreasing polymer elasticity.
Uvitonic acid is obtained by the action of ammonia on 1,5-pentanedioate.
Pyrogallol can be produced from glutaric diester.

Industry Uses:
Adsorbents and absorbents
Corrosion inhibitors and anti-scaling agents
Intermediates
Plasticizers
Processing aids, not otherwise listed

Consumer Uses:
Adhesives and sealants
Water treatment products

Other Uses:
Buffering
Flavouring
Processing aid not otherwise specified
Processing aids and additives

1,5-pentanedioate Formula and Structure:
The chemical formula of 1,5-pentanedioate is C3H6(COOH)2.
1,5-pentanedioate is an alpha, omega-dicarboxylic acid that has linear five-carbon dicarboxylic acid.

In addition, 1,5-pentanedioate plays a role as a human metabolite and Daphnia Magna metabolite.
Furthermore, 1,5-pentanedioate is the conjugate acid of glutarate(1- ) and glutamate.
1,5-pentanedioate molecular weight is 132.12 g/mol.

Biochemistry of 1,5-pentanedioate:
1,5-pentanedioate is naturally produced in the body during the metabolism of some amino acids, including lysine and tryptophan.
Defects in this metabolic pathway can lead to a disorder called 1,5-pentanedioateuria, where toxic byproducts build up and can cause severe encephalopathy.

Naturally, the body produces 1,5-pentanedioate during the metabolism of some amino acids that include tryptophan and lysine.
In addition, defects in this metabolic pathway can lead to a disorder called 1,5-pentanedioateuria, where toxic byproducts build up and can cause severe encephalopathy.

Pharmacology and Biochemistry of 1,5-pentanedioate:

Human Metabolite Information:

Tissue Locations:
Placenta
Prostate

Cellular Locations:
Cytoplasm

Properties of 1,5-pentanedioate:
1,5-pentanedioate appears as a colorless crystal or white solid.
Also, 1,5-pentanedioate boiling point is 303oC or 200oC at 20 mmHg.

On the other hand, 1,5-pentanedioate melting point is in between 97.5to98oC.
While the relating ‘linear’ dicarboxylic acids adipic and succinic acids are soluble in water only to a few percent at room temperature.

However, 1,5-pentanedioate is soluble in water and freely soluble in absolute alcohol, ether, benzene, chloroform, and sulfuric acid.
In contrast, 1,5-pentanedioate is slightly soluble in petroleum ether.
1,5-pentanedioate has a density of 1.4 g/cm3.

Production of 1,5-pentanedioate:
1,5-pentanedioate can be prepared by the ring-opening of butyrolactone with potassium cyanide to give the mixed potassium carboxylate-nitrile that is hydrolyzed to the diacid.
Alternatively hydrolysis, followed by oxidation of dihydropyran gives 1,5-pentanedioate.
1,5-pentanedioate can also be prepared from reacting 1,3-dibromopropane with sodium or potassium cyanide to obtain the dinitrile, followed by hydrolysis.

We can produce 1,5-pentanedioate by the ring-opening of butyrolactone with potassium cyanide to provide the mixed potassium carboxylate-nitrile that is hydrolyzed to the diacid.

An alternative method is a hydrolysis that is followed by oxidation of dihydropyran that gives 1,5-pentanedioate.
We can also prepare by reacting 1, 3-dibromopropane with sodium or potassium cyanide to acquire the dinitrile followed by hydrolysis.

Manufacturing Methods of 1,5-pentanedioate:
Manufactured from cyclopentanone by oxidative ring fission with hot 50% nitric acid in the presence of vanadium cyanide.
Lab prepn by acid hydrolysis of trimethylene cyanide or of methylenedimalonic ester.

Oxidation of cyclopentanone with 50% nitric acid in the presence of vanadium pentoxide or with air in the presence of a catalyst; by-product in the production of adipic acid from cyclohexane by oxidation with air & nitric acid

General Manufacturing Information of 1,5-pentanedioate:

Industry Processing Sectors:
All other basic organic chemical manufacturing
Plastic material and resin manufacturing
Utilities

15,000 cu m/hr offgas containing 10-15% sulfur dioxide & 0.5-2 mg h2s/cu m is scrubbed in 4 successive packed columns @ 35 °c with 40-55 cu m/hr 30% aq 1,5-pentanedioate.
A composition for neutralizing or destroying a susceptible virus on infected tissue of a living mammal contains an effective concn of 1,5-pentanedioate in pharmaceutical vehicle as well as paper or cloth coated or impregnated with the virucide.
1,5-pentanedioate may be an essential precursor in the biosynthesis of biotin by a species of agrobacterium.

Solubility of 1,5-pentanedioate:
Soluble in water, alcohol, benzene and chloroform.
Slightly soluble in petroleum ether.

Reactivity Profile of 1,5-pentanedioate:
Glutarıc Acıd is a carboxylic acid.
Carboxylic acids donate hydrogen ions if a base is present to accept them.

They react in this way with all bases, both organic (for example, the amines) and inorganic.
Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat.

Neutralization between an acid and a base produces water plus a salt.
Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water.

Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions.
The pH of solutions of carboxylic acids is therefore less than 7.0.

Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt.
Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt.

Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry.
Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in 1,5-pentanedioate to corrode or dissolve iron, steel, and aluminum parts and containers.

Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide.
The reaction is slower for dry, solid carboxylic acids.

Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide.
Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides.

Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat.
Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat.

Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents.
These reactions generate heat.

A wide variety of products is possible.
Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions This compound reacts with bases, oxidizing agents and reducing agents.

Safety of 1,5-pentanedioate:
1,5-pentanedioate may cause irritation to the skin and eyes.
Acute hazards include the fact that this compound may be harmful by ingestion, inhalation or skin absorption.

First Aid of 1,5-pentanedioate:

EYES:
First check the victim for contact lenses and remove if present.
Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center.

Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician.
IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

SKIN:
IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing.
Gently wash all affected skin areas thoroughly with soap and water.
If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.

INHALATION:
IMMEDIATELY leave the contaminated area; take deep breaths of fresh air.
If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital.

Provide proper respiratory protection to rescuers entering an unknown atmosphere.
Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.

INGESTION:
DO NOT INDUCE VOMITING.
If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center.

Be prepared to transport the victim to a hospital if advised by a physician.
If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body.

DO NOT INDUCE VOMITING.
IMMEDIATELY transport the victim to a hospital.

Fire Fighting of 1,5-pentanedioate:
Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher.
A water spray may also be used.

Spillage Disposal of 1,5-pentanedioate:
Sweep spilled substance into covered containers.
If appropriate, moisten first to prevent dusting.
Then wash away with plenty of water.

Handling and Storage of 1,5-pentanedioate:

Nonfire Spill Response:

SMALL SPILLS AND LEAKAGE:
If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container.
Use absorbent paper dampened with water to pick up any remaining material.

Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal.
Wash all contaminated surfaces with a soap and water solution.
Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

STORAGE PRECAUTIONS:
You should store this chemical at ambient temperatures, and keep 1,5-pentanedioate away from oxidizing materials.

Safe Storage of 1,5-pentanedioate:
Separated from bases.

1,5-pentanedioate Health and Safety Hazards:
1,5-pentanedioate can cause irritation to the eyes, respiratory tract, and skin.
The compound has an acute/chronic effects like 1,5-pentanedioate is harmful by inhalation, ingestion, or skin absorption.

Also, when heated to decomposition 1,5-pentanedioate may emit acrid smoke, toxic fumes of carbon dioxide, and carbon monoxide, and irritating fumes.
If someone inhales 1,5-pentanedioate then 1,5-pentanedioate can also cause sore throat and cough also 1,5-pentanedioate touches the skin or eyes then 1,5-pentanedioate causes redness and pain in the area.
1,5-pentanedioate ingestion can cause abdominal pain.

Identifiers of Glutaric acid:
CAS Number: 110-94-1
ChEBI: CHEBI:17859
ChEMBL: ChEMBL1162495
ChemSpider: 723
DrugBank: DB03553
ECHA InfoCard: 100.003.471
EC Number: 203-817-2
KEGG: C00489
PubChem CID: 743
UNII: H849F7N00B
CompTox Dashboard (EPA): DTXSID2021654
InChI:
InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9) check
Key: JFCQEDHGNNZCLN-UHFFFAOYSA-N check
InChI=1/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
Key: JFCQEDHGNNZCLN-UHFFFAOYAU
SMILES: C(CC(=O)O)CC(=O)O

Properties of Glutaric acid:
Chemical formula: C5H8O4
Molar mass: 132.12 g/mol
Melting point: 95 to 98 °C (203 to 208 °F; 368 to 371 K)
Boiling point: 200 °C (392 °F; 473 K) /20 mmHg

Molecular Weight: 132.11
XLogP3: -0.3
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Rotatable Bond Count: 4
Exact Mass: 132.04225873
Monoisotopic Mass: 132.04225873
Topological Polar Surface Area: 74.6 Ų
Heavy Atom Count: 9
Complexity: 104
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Physicochemical Information of Glutaric acid:
Boiling point: 302 - 304 °C (1013 hPa) (slow decomposition)
Density: 1.429 g/cm3 (15 °C)
Melting Point: 97.5 - 98 °C
Vapor pressure: 0.022 hPa (18.5 °C)
Solubility: 640 g/l

Specifications of Glutaric acid:
Assay (acidimetric): ≥ 99,0 %(m)
Melting range (lower value): ≥ 95 °C
Melting range (upper value): ≤ 99 °C
Identity (IR): conforms

Names of Glutaric acid:

Preferred IUPAC name of Glutaric acid:
Pentanedioic acid

Other names of Glutaric acid:
Glutaric acid
Propane-1,3-dicarboxylic acid
1,3-Propanedicarboxylic acid
Pentanedioic acid
n-Pyrotartaric acid
1,5-PENTANEDIOIC ACID
1,5-Pentanedioic acid is an intermediate formed during the catabolism of lysine.
1,5-Pentanedioic acid, also known as 1,5-pentanedioate or pentanedioic acid, belongs to the class of organic compounds known as dicarboxylic acids and derivatives.


CAS Number: 110-94-1
EC Number: 203-817-2
MDL Number: MFCD00004410
Molecular Formula: C5H8O4


1,5-Pentanedioic acid is soluble in water, alcohol, benzene and chloroform.
1,5-Pentanedioic acid is slightly soluble in petroleum ether.
1,5-Pentanedioic acid is incompatible with bases, oxidizing agents and reducing agents.


1,5-Pentanedioic acid exists in all living organisms, ranging from bacteria to humans.
1,5-Pentanedioic acid is an odorless tasting compound.
1,5-Pentanedioic acid has been detected, but not quantified in, several different foods, such as eddoes (Colocasia antiquorum), pitangas (Eugenia uniflora), narrowleaf cattails (Typha angustifolia), chicory leaves (Cichorium intybus var. foliosum), and wax apples (Eugenia javanica).


This could make 1,5-Pentanedioic acid a potential biomarker for the consumption of these foods.
1,5-Pentanedioic acid belongs to the class of organic compounds known as dicarboxylic acids and derivatives.
These are organic compounds containing exactly two carboxylic acid groups.


1,5-Pentanedioic acid is a simple five-carbon linear dicarboxylic acid.
1,5-Pentanedioic acid is naturally produced in the body during the metabolism of some amino acids, including lysine and tryptophan.
1,5-Pentanedioic acid appears as colorless crystals or white solid.


1,5-Pentanedioic acid is an alpha,omega-dicarboxylic acid that is a linear five-carbon dicarboxylic acid.
1,5-Pentanedioic acid has a role as a human metabolite and a Daphnia magna metabolite.
1,5-Pentanedioic acid is an alpha,omega-dicarboxylic acid and a dicarboxylic fatty acid.


1,5-Pentanedioic acid is a conjugate acid of a glutarate(1-) and a glutarate.
1,5-Pentanedioic acid is a metabolite found in or produced by Escherichia coli.
1,5-Pentanedioic acid is an alpha,omega-dicarboxylic acid which has simple 5 carbon linear dicarboxylic acid (HO2C−R−CO2H).


The molecular or chemical formula of 1,5-Pentanedioic acid is C5H8O4.
1,5-Pentanedioic acid belongs to the class of organic compounds known as dicarboxylic acids and derivatives.
These are organic compounds containing exactly two carboxylic acid groups.


1,5-Pentanedioic acid is registered under the REACH Regulation and is manufactured in and / or imported to the European Economic Area, at ≥ 100 to < 1 000 tonnes per annum.
1,5-Pentanedioic acid is soluble in water, alcohol, benzene and chloroform.


1,5-Pentanedioic acid is slightly soluble in petroleum ether.
1,5-Pentanedioic acid is incompatible with bases, oxidizing agents and reducing agents.
1,5-Pentanedioic acid is the organic compound with the formula C3H6(COOH)2.


Although the related "linear" dicarboxylic acids adipic and succinic acids are water-soluble only to a few percent at room temperature, the water-solubility of 1,5-Pentanedioic acid is over 50% (w/w).
1,5-Pentanedioic acid is found in sugar beet, needle-like or large needle-like crystals, usually containing 1 mol of water of crystallization.


The melting point of the anhydrate was 97. 5-98 °c.
The boiling point of 1,5-Pentanedioic acid is 303 deg C (10 L kPa, almost no decomposition).
The relative density was 1. 429.
1,5-Pentanedioic acid is soluble in water, alcohol, ether and chloroform, slightly soluble in petroleum ether.



USES and APPLICATIONS of 1,5-PENTANEDIOIC ACID:
1,5-Pentanedioic acid is used as the raw material for organic synthesis, pharmaceutical intermediate and synthetic resin.
1,5-Pentanedioic acid serves as a precursor in the production of polyester polyols, polyamides, ester plasticizers and corrosion inhibitors.
1,5-Pentanedioic acid is useful to decrease polymer elasticity and in the synthesis surfactants and metal finishing compounds.


1,5-Pentanedioic acid acts as an intermediate during the catabolism of lysine in mammals.
1,5-Pentanedioic acid is used for synthesis.
Hydrogenation of 1,5-Pentanedioic acid and its derivatives produces a placticizers.


1,5-Pentanedioic acid is used to produce many polymers such as polyesters, polyamides.
1,5-Pentanedioic acid is mainly used to make glutaric anhydride.
1,5-Pentanedioic acid for producing glutaric anhydride is used as initiator for polymerization of synthetic resin and rubber.


1,5-Pentanedioic acid is used in articles, in formulation or re-packing, at industrial sites and in manufacturing.
Other release to the environment of 1,5-Pentanedioic acid is likely to occur from: indoor use in long-life materials with low release rate (e.g. flooring, furniture, toys, construction materials, curtains, foot-wear, leather products, paper and cardboard products, electronic equipment).


1,5-Pentanedioic acid is used in the following products: metal surface treatment products and welding & soldering products.
Release to the environment of 1,5-Pentanedioic acid can occur from industrial use: formulation of mixtures.
1,5-Pentanedioic acid is used in the following products: pharmaceuticals, photo-chemicals, adhesives and sealants and welding & soldering products.


1,5-Pentanedioic acid is used in the following areas: health services.
1,5-Pentanedioic acid is used for the manufacture of: and electrical, electronic and optical equipment.
Release to the environment of 1,5-Pentanedioic acid can occur from industrial use: in the production of articles and as an intermediate step in further manufacturing of another substance (use of intermediates).


Release to the environment of 1,5-Pentanedioic acid can occur from industrial use: manufacturing of the substance.
1,5-Pentanedioic acid is mainly used for the preparation of Glutaric anhydride.
1,5-Pentanedioic acid is mainly used to produce glutaric anhydride


The raw material for the production of glutaric anhydride is used as a synthetic resin and synthetic rubber.
1,5-Pentanedioic acid is used as the raw material for organic synthesis, pharmaceutical intermediate and synthetic resin.
1,5-Pentanedioic acid serves as a precursor in the production of polyester polyols, polyamides, ester plasticizers and corrosion inhibitors.


1,5-Pentanedioic acid is useful to decrease polymer elasticity and in the synthesis surfactants and metal finishing compounds.
1,5-Pentanedioic acid acts as an intermediate during the catabolism of lysine in mammals.



PRODUCTION METHOD OF 1,5-PENTANEDIOIC ACID:
industrially can be recovered from the by-product production of adipic acid.
There are many methods for laboratory preparation.

1. Preparation of glutaric acid from γ-butyrolactone
The γ-butyrolactone and potassium cyanide were heated to 190-195 ℃ and stirred for 2h.
Cooling, adding concentrated hydrochloric acid to acidify to generate glutaric acid monoamide, and then heating and hydrolysis to obtain glutaric acid.
Yield 71-75%.

2. Preparation of glutaric acid from dihydropyran
Dihydropyran and 0.2N nitric acid are heated and dissolved in a boiling water bath, then cooled in an ice water bath, concentrated nitric acid is added, dihydropyran is hydrolyzed and nitrogen dioxide is escaped, when the temperature drops to 0 ℃, sodium nitrate is added and stirred strongly for 3 hours.
No longer cooling, let the temperature rise to 25-30 ℃.
Decompression evaporation and cooling to obtain glutaric acid with a yield of 70-75%.

3. Preparation of glutaric acid from glutaronitrile
The glutaric acid is heated and refluxed with hydrochloric acid for 4 hours and then evaporated to dryness.
The residue contains glutaric acid and ammonium chloride, which is extracted with hot ether.
The extract recovers the ether to obtain glutaric acid, which can be recrystallized with chloroform or benzene.

4. Cyclohexanone oxidation cyclohexanone by nitric acid oxidation production of adipic acid by glutaric acid.

5. Recovery of glutaric acid in the production of oxidized paraffin wax by by-product recovery method.
The recovery method generally uses water extraction (or distillation, flash evaporation and steam distillation, etc.) and crystallization.

6. Cyclopentanone liquid phase oxidation method.

7. Dihydrofuran method.
Glutaric acid is also prepared from 1, 3-propanediol in the laboratory.



PREPARATION METHOD OF 1,5-PENTANEDIOIC ACID:
cyclohexanone oxidation Cyclohexanone is oxidized by nitric acid to produce adipic acid as a byproduct of Glutaric acid.
Glutaric acid is recovered during the production of oxidized paraffin by paraffin oxidation of by-product recovery method.
The recovery method generally adopts water extraction method (or distillation, flash distillation and steam distillation, etc.) and crystallization method.
cyclopentanone liquid phase oxidation method
y-butyrolactone method



CLASSIFICATION OF 1,5-PENTANEDIOIC ACID:
*Chemical entities
*Organic compounds
*Organic acids and derivatives
*Carboxylic acids and derivatives
*Dicarboxylic acids and derivatives



ALTERNATIVE PARENTS OF 1,5-PENTANEDIOIC ACID:
*Fatty acids and conjugates
*Carboxylic acids
*Organic oxides
*Hydrocarbon derivatives
*Carbonyl compounds



SUBSTITUENTS OF 1,5-PENTANEDIOIC ACID:
*Fatty acid
*Dicarboxylic acid or derivatives
*Carboxylic acid
*Organic oxygen compound
*Organic oxide
*Hydrocarbon derivative
*Organooxygen compound
*Carbonyl group
*Aliphatic acyclic compound



REACTIVITY PROFILE OF 1,5-PENTANEDIOIC ACID:
1,5-Pentanedioic acid is a carboxylic acid.
Carboxylic acids donate hydrogen ions if a base is present to accept them.
They react in this way with all bases, both organic (for example, the amines) and inorganic.

Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat.
Neutralization between an acid and a base produces water plus a salt.
Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water.

1,5-Pentanedioic acid is soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions.
The pH of solutions of carboxylic acids is therefore less than 7.0.
Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt.

Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt.
Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry.
Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in it to corrode or dissolve iron, steel, and aluminum parts and containers.

Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide.
The reaction is slower for dry, solid carboxylic acids.
Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide.

Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides.
Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat.

Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat.
Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents.
These reactions generate heat.

A wide variety of products is possible.
Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.
1,5-Pentanedioic acid reacts with bases, oxidizing agents and reducing agents.



BIOCHEMISTRY OF 1,5-PENTANEDIOIC ACID:
1,5-Pentanedioic acid is naturally produced in the body during the metabolism of some amino acids, including lysine and tryptophan.



PRODUCTION OF 1,5-PENTANEDIOIC ACID:
1,5-Pentanedioic acid can be prepared by the ring-opening of butyrolactone with potassium cyanide to give the mixed potassium carboxylate-nitrile that is hydrolyzed to the diacid.
Alternatively hydrolysis, followed by oxidation of dihydropyran gives 1,5-Pentanedioic acid.
1,5-Pentanedioic acid can also be prepared from reacting 1,3-dibromopropane with sodium or potassium cyanide to obtain the dinitrile, followed by hydrolysis.
1,5-Pentanedioic acid itself has been used in the production of polymers such as polyester polyols, polyamides.



PHYSICAL and CHEMICAL PROPERTIES of 1,5-PENTANEDIOIC ACID:
Physical state: solid
Color: white, off-white
Odor: No data available
Melting point/freezing point:
Melting point/range: 95 - 98 °C - lit.
Initial boiling point and boiling range: 200 °C at 27 hPa - lit.
Flammability (solid, gas): The product is not flammable.
Upper/lower flammability or explosive limits: No data available
Flash point: No data available
Autoignition temperature: No data available
Decomposition temperature: No data available
pH: No data available
Viscosity
Viscosity, kinematic: No data available
Viscosity, dynamic: No data available
Water solubility: 130 g/l at 23,9 °C

Partition coefficient:
n-octanol/water:
log Pow: -0,256 - Bioaccumulation is not expected.
Vapor pressure: < 1 hPa at 121 °C
Density: 1,429 g/cm3 at 15 °C
Relative density: No data available
Relative vapor density: No data available
Particle characteristics: No data available
Explosive properties: No data available
Oxidizing properties: none
Other safety information: No data available
Appearance: White crystalline powder
Content (m/m , %): ≥ 99
Melting point: 96.0 - 99.0℃
Moisture (m/m,%): ≤0.2
Relative density (d 254): 1.425
Water insoluble substance (m/m , %): Burning residue (m/m , %): <0.01

Chemical formula: C5H8O4
Molar mass: 132.12 g/mol
Melting point: 95 to 98 °C (203 to 208 °F; 368 to 371 K)
Boiling point: 200 °C (392 °F; 473 K) /20 mmHg
PSA: 74.60000
XLogP3: -0.3
Appearance: Glutaric acid appears as colorless crystals or white solid.
Density: 1.429 g/cm3 @ Temp: 15 °C
Melting Point: 97.5-98 °C
Boiling Point: 200 °C @ Press: 20 Torr
Flash Point: 151.2ºC
Refractive Index: 1.42793 (106.4ºC)
Water Solubility: H2O: 430 g/L (20 ºC)
Storage Conditions: 2-8ºC
Vapor Pressure: 0.000223mmHg at 25°C
PKA: 4.34(at 25 °C)
Dissociation Constants: 4.34 (at 25 °C)|K1 @ 25
DEG: 4.60X10-5; K2: 6.0X10-6

Experimental Properties: VERY SLIGHT DECOMPOSITION AT 302-304 °C
Air and Water Reactions: Water soluble.
Reactive Group: Acids, Carboxylic
Reactivity Profile: GLUTARIC ACID is a carboxylic acid.
Category: Polymers
Description: Liquid
IUPAC Name: pentane-1,5-diol
Molecular Weight: 104.15g/mol
Molecular Formula: C5H12O2
SMILES: C(CCO)CCO
InChI: InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
InChIKey: ALQSHHUCVQOPAS-UHFFFAOYSA-N
Boiling Point: 239.0 °C;240 °C
Melting Point: -18.0 °C;-18 °C
Flash Point: 129 °C (265 °F) (open cup);136 °C (277 °F) - closed cup
Density: 0.9941 g/cm cu at 20 °C; 0.9858 g/cm cu at 25 °C
Solubility: Miscible with water
Soluble in water
Miscible with methanol, ethanol, acetone, ethyl acetate.

Soluble in ether (25 °C): 11% w/w.
Limited solubility in benzene, trichloroethylene, methylene chloride, petroleum ether, heptane.
Soluble in alcohols, acetone, and relatively insoluble in aliphatic and aromatic hydrocarbons
Color/Form: Viscous, oily liquid;Colorless
Complexity: 25.3
Covalently-Bonded Unit Count: 1
EC Number: 203-854-4
Exact Mass: 104.08373g/mol
Formal Charge: 0
Heat of Vaporization: 82.4 kJ/mol at 25 °C
Heavy Atom Count: 7
LogP: log Kow = 0.27 (est)
Monoisotopic Mass:104.08373g/mol
NSC Number: 5927
Other Experimental:
Henry's Law constant = 3.1X10-7atm-cu m/mol at 25 °C (est)
Hydroxyl radical reaction rate constant = 1.3X10-11 cu cm/mole-sec at 25 °C (est)
Refractive IndexIndex of refraction: 1.4499 at 20 °C
Rotatable Bond Count: 4
Stability: Stable under recommended storage conditions.
Status: 0

Vapor Pressure: 0.00 mmHg;3.90X10-3 mm Hg at 25 °C
Viscosity: 128 mPa.s at 20 °C
XLogP: 3-0.1
logP: 0.046
pKa (Strongest Acidic): 3.76
Physiological Charge: -2
Hydrogen Acceptor Count: 4
Hydrogen Donor Count: 2
Polar Surface Area: 74.6 Ų
Rotatable Bond Count: 4
Refractivity: 28.14 m³·mol⁻¹
Polarizability: 12.17 ų
Number of Rings: 0
Bioavailability: Yes
Rule of Five: Yes
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

Molecular Weight: 136.10 g/mol
XLogP3: -0.3
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Rotatable Bond Count: 4
Exact Mass: 136.04874271 g/mol
Monoisotopic Mass: 136.04874271 g/mol
Topological Polar Surface Area: 74.6Ų
Heavy Atom Count: 9
Formal Charge: 0
Complexity: 104
Isotope Atom Count: 2
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Molecular Formula: C5H8O4
Molar Mass: 132.11
Density: 1,429 g/cm3
Melting Point: 95-98 °C (lit.)
Boling Point: 200 °C/20 mmHg (lit.)
Flash Point: 200°C/20mm
Water Solubility: 430 g/L (20 ºC)
Solubility: Soluble in anhydrous ethanol and ether,
soluble in benzene and chloroform,
slightly soluble in petroleum ether
Vapor Presure: 0.022 hPa (18.5 °C)
Appearance: Colorless crystal
Color: Orange
Merck: 14,4473
BRN: 1209725
pKa: 4.31(at 25℃)
PH: 3.7(1 mM solution);3.17(10 mM solution);2.66(100 mM solution)

Storage Condition: Store below +30°C.
Stability: Stable.
Incompatible with bases, oxidizing agents, reducing agents.
Refractive Index: nD106 1.41878
MDL: MFCD00004410
Melting point: 92-99°C
boiling point: 302-304°C
water-soluble: 430g/L (20°C)
Melting Point: 95°C to 99°C
Density: 1.429
Boiling Point: 200°C (20mmHg)
Quantity: 25 g
Beilstein: 1209725
Merck Index: 14,4473
Solubility Information: Soluble in water,alcohol,benzene and chloroform.
Slightly soluble in petroleum ether.
Formula Weight: 132.12





FIRST AID MEASURES of 1,5-PENTANEDIOIC ACID:
-Description of first-aid measures:
*General advice:
First aiders need to protect themselves.
Show this material safety data sheet to the doctor
in attendance.
*If inhaled:
After inhalation:
Fresh air.
Call in physician.
*In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with water/ shower.
Call a physician immediately.
*In case of eye contact
After eye contact:
Rinse out with plenty of water.
Immediately call in ophthalmologist.
Remove contact lenses.
*If swallowed
After swallowing:
Make victim drink water (two glasses at most), avoid vomiting (risk of
perforation).
Call a physician immediately.
Do not attempt to neutralise.
-Indication of any immediate medical attention and special treatment needed
No data available



ACCIDENTAL RELEASE MEASURES of 1,5-PENTANEDIOIC ACID:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up dry.
Dispose of properly.
Clean up affected area.



FIRE FIGHTING MEASURES of 1,5-PENTANEDIOIC ACID:
-Extinguishing media:
*Suitable extinguishing media:
Water
Foam
Carbon dioxide (CO2)
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.



EXPOSURE CONTROLS/PERSONAL PROTECTION of 1,5-PENTANEDIOIC ACID:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
Tightly fitting safety goggles
*Skin protection:
Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Splash contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
*Body Protection:
protective clothing
-Control of environmental exposure:
Do not let product enter drains.



HANDLING and STORAGE of 1,5-PENTANEDIOIC ACID:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
Dry.
*Storage class:
Storage class (TRGS 510): 8B:
Non-combustible



STABILITY and REACTIVITY of 1,5-PENTANEDIOIC ACID:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature) .
-Conditions to avoid:
no information available
-Incompatible materials:
No data available



SYNONYMS:
Glutaric acid
1,5-Pentanedioic acid
1,3-Propanedicarboxylic acid
NSC 9238
Glutaric acid
Pentanedioic acid
Propane-1,3-dicarboxylic acid
Glutaric acid
1,3-Propanedicarboxylic acid
1,5-Pentanedioic acid
Pentandioic acid
glutaric
Glutarsaure
utaric acid
Glutaric acid
pentanedioate
G1utaric Acid
pentanedioic acid
1,5-PENTADIOIC ACID
1,5-PENTANEDIOIC ACID
1,5-Pentanedioic acid
a,-Propanedicarboxylicacid
1,3-PROPANEDICARBOXYLIC ACID
1,3-Propanedicarboxylic acid
1,3-Propane-dicarboxylic acid)
Glutaric acid,(Pentanedioic acid
glutaric acid
1,5-pentanedioic acid
1,3-propanedicarboxylic acid
pentandioic acid
glutarate
n-pyrotartaric acid
unii-h849f7n00b
propane-1,3-dicarboxylic acid
c4-c6 dibasic acids
carboxylic acids
c6-18 and c5-15-di
GLUTARIC ACID
Pentanedioic acid
1,5-Pentanedioic acid
1,3-Propanedicarboxylic acid
Pentandioic acid
Pentanedioic acid
Glutaric acid
Propane-1,3-dicarboxylic acid
1,3-Propanedicarboxylic acid
Pentanedioic acid
n-Pyrotartaric acid
1,3-Propanedicarboxylic Acid-13C2
1,5- NSC 9238-13C2
Glutaric Acid-1,5-13C2
Glutathione-(glycine-3C2,5N)
L-Glutamyl-L-cysteinyl-glycine-3C2,5N
Pentanedioic Acid-13C2
pentanedioic acid
1,3-Propanedicarboxylate
1,3-Propanedicarboxylic acid
1,5-Pentanedioate
1,5-Pentanedioic acid
Glutarate
Glutaric acid
Glutarsaeure
Pentandioate
Pentandioic acid
Pentanedioate
GLUTARIC ACID
Pentanedioic acid
110-94-1
1,5-Pentanedioic acid
glutarate
1,3-Propanedicarboxylic acid
Pentandioic acid
n-Pyrotartaric acid
propane-1,3-dicarboxylic acid
Glutarsaeure
CHEBI:17859
HSDB 5542
NSC 9238
EINECS 203-817-2
UNII-H849F7N00B
BRN 1209725
DTXSID2021654
AI3-24247
H849F7N00B
NSC-9238
MFCD00004410
DTXCID401654
NSC9238
4-02-00-01934 (Beilstein Handbook Reference)
1,3-PENTANEDIOIC ACID (RIFM)
68603-87-2
68937-69-9
CAS-110-94-1
Pentandioate
Acide glutarique
1czc
1,5-Pentanedioate
Glutaric acid, 99%
4lh3
1,3-Propanedicarboxylate
WLN: QV3VQ
pentanedioate;Glutaric acid
bmse000406
D04XDS
GLUTARIC ACID [MI]
Glutaric Acid and Anhydride
SCHEMBL7414
GLUTARIC ACID [HSDB]
GLUTARIC ACID [INCI]
Pentanedioic acid Glutaric acid
CHEMBL1162495
EINECS 273-081-5
Tox21_202448
Tox21_302871
BDBM50485550
s3152
AKOS000118800
CS-W009536
DB03553
HY-W008820
NCGC00249226-01
NCGC00256456-01
NCGC00259997-01
AS-13132
BP-21143
SY029948
FT-0605446
G0069
G0245
EN300-17991
C00489
D70283
A802271
Q409622
Glutaric Acid (ca. 50% in Water, ca. 4.3mol/L)
J-011915
Q-201163
Z57127454
78FA13BF-E0C0-4EFC-948C-534CF45044E3
F2191-0242
Glutaric acid, certified reference material, TraceCERT(R)




1,5-PENTANEDIOL
DESCRIPTION:
1,5-Pentanediol is the organic compound with the formula HO(CH2)5OH.
Like other diols, this viscous colourless liquid is used as plasticizer and also forms polyesters that are used as emulsifying agents and resin intermediates.
1,5-Pentanediol is produced by hydrogenation of glutaric acid and its derivatives.

CAS Number: 111-29-5
EC Number: 203-854-4
Linear Formula: HO(CH2)5OH
Molecular Weight: 104.15


1,5-Pentanediol can also be prepared by hydrogenolysis of tetrahydrofurfuryl alcohol.
Pentane-1,5-diol is a primary alcohol.
1,5-Pentanediol is a raw material used in polyurethane coatings, polyester resins, and polycarbonate diol resins.

Because of its low melting point, it is easier to handle than 1,6-hexanediol.
The chemical structure of 1,5-pentanediol, which contains terminally located hydroxyl groups, makes it highly reactive and useful for the manufacture of a variety of derivatives.

1,5-Pentanediol is used as a plasticizer in cellulose products and adhesives.
1,5-Pentanediol is used as a brake fluid additive.
1,5-Pentanediol reacts with 3,4-dihydro-2H-pyran to get 5-tetrahydropyran-2-yloxy-pentan-1-ol.

1,5-Pentanediol is a colorless, odorless liquid.
1,5-Pentanediol is neither hazardous for human health nor for the environment.
1,5-Pentanediol has a wide range of applications.

1,5-Pentanediol has two functional groups which are useful in the production of various polymers and plastic products.
But 1,5-Pentanediol also finds application in other chemical processes as well as it is contained in different consumer products.

Contamination of Bindeez:
A toy called Bindeez (Aqua Dots in North America) was recalled by the distributor in November 2007 because of the unauthorized substitution of 1,5-pentanediol with 1,4-butanediol.
The toy consists of small beads that stick to each other upon sprinkling with water.

1,4-Butanediol, which when ingested is metabolized to gamma-hydroxybutyric acid, was detected by GC-MS.
ChemNet China lists the price of 1,4-butanediol at between about US$1,350–2,800/tonne, while the price for 1,5-pentanediol is about US$9,700/tonne.

1, 5-pentanediol is easier to handle than 1, 6-hexanediol since 1, 5-pentanediol has low melting point.
The configuration of 1, 5-pentanediol results in rapid and simultaneous reactions in the formation of numerous di-substituted products.
1, 5-pentanediol is Used in the production of polyesters and polycarbonate diols.

1,5-Pentanediol, PDO is a building block for saturated polyesters, unsaturated polyesters and polyurethanes, solvent for inkjet ink formulations.
1,5-Pentanediol is suitable for polyesters for solvent-borne paints (stoving enamels, two-components paints, can & coil coatings), polyester plasticizers and for soft segments for polyurethanes.

APPLICATIONS OF 1,5-PENTANEDIOL:
1,5-Pentanediol can be used:
As a monomer for the synthesis of biocompatible polyesters, polycarbonates and polyurethanes.
As an oxygen precursor for the formation of thin film of ZnO via atomic layer deposition.
For the enantioselective convergent synthesis of (+)-spirolaxine methyl ether, ′helicobactericidal agent found in white rot fungi′.

1,5-Pentanediol as a linear diol for the production of various resin types:
Adhesives and Sealants:
1,5-Pentanediol is used in the production of polyester and polyurethane (polyester polyol and polycarbonate diol) resins.
The flexibility and adhesive properties are valuable in these applications.

Coatings:
In polyesters and polyurethane (polyester polyol and polycarbonate diol), 1,5-Pentanediol contributes a good balance between hardness and flexibility, adhesion, weatherability or hydrolysis resistance.

1,5-Pentanediol is obtained after treatment of the mixture of products resulting from the oxidation of cyclohexane with air.
1,5-Pentanediol is used to produce materials made of polyester or polyurethane, for the manufacturing of monomers, for the manufacture of polyester polyols, polycarbonatedioles and acrylic monomers, for the production of delta valerolactone and for molecules that act as reactive diluents, for the production of halogenated substances and for the production of adhesives, putties and sealing compounds, cleaners and auxiliary agents.

1,5-Pentanediol is also used in the processes to produce hydrogen, hydrogen peroxide, sodium perborate and peroxyacetic acid and as an intermediate for pharmaceutical products.
1,5-Pentanediol is used as an ingredient for the production of polymeric thickeners, plasticizers for polyvinyl chloride, sizing agents, surfactants, for starches and chemically modified starch for application in the paper, textile and food industry, for personal hygiene products like shampoo, creams, and for paints.

USES OF 1,5-PENTANEDIOL:
1,5-Pentanediol is used as a plasticizer in cellulose products and adhesives.
1,5-Pentanediol is used as a brake fluid additive.
1,5-Pentanediol reacts with 3,4-dihydro-2H-pyran to get 5-tetrahydropyran-2-yloxy-pentan-1-ol.

1,5-Pentanediol is also used to prepare polyesters for emulsifying agents and resin intermediates.
Further, 1,5-Pentanediol is used in ink, toner and colorant products.
In addition to this, 1,5-Pentanediol is used in brake fluid compositions.

1,5-Pentanediol is used as a reagent in the total synthesis of (+)-Rubriflordilactone A, a nortriterpenoid natural product.
1,5-Pentanediol is also the starting material in the synthesis of Pseudomonic Acid D Sodium (P839520); an antibiotic isolated from Pseudomonas fluorescens.





SAFETY INFORMATION ABOUT 1,5-PENTANEDIOL:
First aid measures:
Description of first aid measures:
General advice:
Consult a physician.
Show this safety data sheet to the doctor in attendance.
Move out of dangerous area:

If inhaled:
If breathed in, move person into fresh air.
If not breathing, give artificial respiration.
Consult a physician.
In case of skin contact:
Take off contaminated clothing and shoes immediately.
Wash off with soap and plenty of water.
Consult a physician.

In case of eye contact:
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
Continue rinsing eyes during transport to hospital.

If swallowed:
Do NOT induce vomiting.
Never give anything by mouth to an unconscious person.
Rinse mouth with water.
Consult a physician.

Firefighting measures:
Extinguishing media:
Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas

Advice for firefighters:
Wear self-contained breathing apparatus for firefighting if necessary.
Accidental release measures:
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment.

Avoid breathing vapours, mist or gas.
Evacuate personnel to safe areas.

Environmental precautions:
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.

Methods and materials for containment and cleaning up:
Soak up with inert absorbent material and dispose of as hazardous waste.
Keep in suitable, closed containers for disposal.

Handling and storage:
Precautions for safe handling:
Avoid inhalation of vapour or mist.

Conditions for safe storage, including any incompatibilities:
Keep container tightly closed in a dry and well-ventilated place.
Containers which are opened must be carefully resealed and kept upright to prevent leakage.
Storage class (TRGS 510): 8A: Combustible, corrosive hazardous materials

Exposure controls/personal protection:
Control parameters:
Components with workplace control parameters
Contains no substances with occupational exposure limit values.
Exposure controls:
Appropriate engineering controls:
Handle in accordance with good industrial hygiene and safety practice.
Wash hands before breaks and at the end of workday.

Personal protective equipment:
Eye/face protection:
Tightly fitting safety goggles.
Faceshield (8-inch minimum).
Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection:
Handle with gloves.
Gloves must be inspected prior to use.
Use proper glove
removal technique (without touching glove's outer surface) to avoid skin contact with this product.
Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.

Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
It should not be construed as offering an approval for any specific use scenario.

Body Protection:
Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection:
Where risk assessment shows air-purifying respirators are appropriate use a fullface respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls.

If the respirator is the sole means of protection, use a full-face supplied air respirator.
Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.

Stability and reactivity:
Chemical stability:
Stable under recommended storage conditions.
Incompatible materials:
Strong oxidizing agents:
Hazardous decomposition products:
Hazardous decomposition products formed under fire conditions.
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas.

Disposal considerations:
Waste treatment methods:
Product:
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging:
Dispose of as unused product


CHEMICAL AND PHYSICAL PROPERTIES OF 1,5-PENTANEDIOL:
Chemical formula C5H12O2
Molar mass 104.14758
Density 0.994 g/mL at 25 °C
Melting point −18 °C (0 °F; 255 K)
Boiling point 242 °C (468 °F; 515 K)
Solubility in water Miscible
vapor pressure: Quality Level: 200
Assay: 96%
autoignition temp.: 635 °F
expl. lim.: 13.2 %
refractive index: n20/D 1.450 (lit.)
bp: 242 °C (lit.)
density: 0.994 g/mL at 25 °C (lit.)
Molecular Weight 104.15 g/mol
XLogP3-AA -0.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 104.083729621 g/mol
Monoisotopic Mass 104.083729621 g/mol
Topological Polar Surface Area 40.5Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 25.3
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
Boiling point 240 - 242 °C (1013 hPa)
Density 0.9939 g/cm3 (20 °C)
Explosion limit 1.3 - 13.1 %(V)
Flash point 142 °C
Ignition temperature 330 °C
Melting Point -18 °C
pH value 7.5 (H₂O)
Vapor pressure 1.14 hPa (98.4 °C)
Assay (GC, area%) ≥ 97.0 % (a/a)
Density (d 20 °C/ 4 °C) 0.988 - 0.991
Identity (IR) passes test
CAS Number: 111-29-5
MDL Number: MFCD00002978
Molecular Formula: C5H12O2
Molecular Weight: 104.15
Purity/Analysis Method: >97.0% (GC)
Form: Clear Liquid
Boiling point (°C): 239
Melting point (°C): -16
Flash Point (°C): 135
Specific Gravity (20/20): 0.99

assay ≥97.0% (GC)
autoignition temp. 330 °C
bp 240-242 °C/1013 hPa
density 0.99 g/cm3 at 20 °C
expl. lim. 1.3-13.1 % (v/v)
form liquid
InChI key ALQSHHUCVQOPAS-UHFFFAOYSA-N
InChI 1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
mp -16 °C
pH 7.5 ( in H2O)
potency 10000 mg/kg LD50, oral (Rat), >19800 mg/kg LD50, skin (Rabbit)
Quality Level 200
storage temp. 2-30°C
transition temp flash point 136 °C
vapor pressure >0.01 hPa ( 20 °C)
Melting point/range: ca. -16 °C
Boiling point/boiling range: 238 °C at 1013.25 hPa
Flashpoint: 142 °C (closed cup)
Flammability (solid, gaseous): Not flammable upon ignition
Selfignition temperature: 330 °C
Explosion limits:
Lower: 1.3 %
Upper: 13.2 %
Explosive properties: Non explosive.
Molecular weight: 104.1476 g/mol
pH value: 7.6 at 20 °C and 500 g/l
log Pow: -0.49 at 25 °C
Vapor pressure: 0.0052 hPa at 25 °C
Relative density: 0.985 g/cm3
at 25.2 °C
Solubility in/Miscibility with water: Miscible in any ratio at 20 °C
Oxidizing properties: No oxidizing properties

SYNONYMS OF 1,5-PENTANEDIOL:
1,5-pentanediol
1,5-pentanediol, disodium salt
1,5-pentanediol, sodium salt
1,5-pentanediol, titanium (4+) salt (4:1)
pentane-1,5-diol
1,5-PENTANEDIOL
Pentane-1,5-diol
111-29-5
1,5-Dihydroxypentane
Pentamethylene glycol
1,5 Pentanediol
1,5-Pentylene glycol
1,5-Pentamethylene glycol
NSC 5927
1,5-Pentandiol
.alpha.,.omega.-Pentanediol
07UXZ0SCST
DTXSID2041256
1,5-PENTANE-D10-DIOL
NSC-5927
alpha,omega-Pentanediol
1219804-42-8
EINECS 203-854-4
UNII-07UXZ0SCST
BRN 1560130
AI3-03318
Pentylene Gylcol
1.5-pentanediol
9JE
pentan-1,5-diol
1,5-pentane diol
.omega.-Pentanediol
MFCD00002978
Pentane diol-1,5
EC 203-854-4
1,5-Pentanediol, 96%
WLN: Q5Q
HO(CH2)5OH
SCHEMBL18788
4-01-00-02540 (Beilstein Handbook Reference)
CHEMBL448289
1,5-PENTANEDIOL [MI]
DTXCID0021256
HSDB 6807
1,5-PENTANEDIOL [INCI]
NSC5927
CHEBI:185431
Tox21_300880
AKOS009158215
CS-W020635
NCGC00248201-01
NCGC00254784-01
BP-30035
CAS-111-29-5
FT-0606982
P0050
1,5-Pentanediol, purum, >=95.0% (GC)
1,5-Pentanediol, purum, >=97.0% (GC)
D77911
EN300-122591
H-1745
1,5-Pentanediol, Vetec(TM) reagent grade, 96%
A802337
Q161557
J-002554
F0001-0238
31784-47-1
1,5-Dihydroxypentane
1,5-Pentamethylene glycol
1,5-Pentandiol [German] [ACD/IUPAC Name]
1,5-Pentanediol [ACD/Index Name] [ACD/IUPAC Name] [Wiki]
1,5-Pentanediol [French] [ACD/Index Name] [ACD/IUPAC Name]
111-29-5 [RN]
1560130 [Beilstein]
203-854-4 [EINECS]
4-01-00-02540 [Beilstein]
MFCD00002978 [MDL number]
Pentamethylene glycol
Pentane-1,5-diol
Pentylene glycol
SA0480000
α,ω-Pentanediol
"1,5-PENTANEDIOL"|"PENTANE-1,5-DIOL"
1, 5-Pentanediol
1-BOC-2-CYANO-2-METHYLPIPERIDINE
H-1745
Pentane diol-1,5
pentano-1,5-diol [Portuguese]
Q5Q [WLN]
α,ω-Pentanediol
Pentanediol
1,5-Pentandiol
1,5-Pentanediol
1,5-Pentanediol (8CI, 9CI)
Pentane-1,5-diol
1,5- Dihydroxypentane
Pentamethyleneglycol
1,5-Pentamethylene glycol
Pentyleneglycol
omega.-Pentanediol
alpha.,omega.-Pentanediol

1,6 HEXAN DIOL 
1,2-Cyclohexane dicarboxylic acid diisononyl ester; Diisononyl cyclohexane-1,2-dicarboxylate cas no:474919-59-0
1,6-HEKSAN DIOL
o-Chlorobenzene; 1,2-Dichlorobenzene; o-Dichlorobenzol; ODCB; Chloroden; 1,2-Dichloorbenzeen (Dutch); 1,2-Dichlor-benzol (German); 1,2-Diclorobenzene (Italian); o-Phenylenedichloride; Dilantin DB; Dowtherm E; Dizene; DCB CAS NO: 95-50-1
1,6-HEXAMETHYLENEGLYCOL
1,6-Hexamethyleneglycol is an organic compound with the formula (CH2CH2CH2OH)2.
1,6-Hexamethyleneglycol is a colorless water-soluble solid.
1,6-Hexamethyleneglycol is widely used for industrial polyester and polyurethane production.

CAS: 629-11-8
MF: C6H14O2
MW: 118.17
EINECS: 211-074-0

1,6-Hexamethyleneglycol is a waxy hygroscopic solid compound that is white in colour.
1,6-Hexamethyleneglycol is a linear diol that contains two primary hydroxyl groups that are located at the terminal.
1,6-Hexamethyleneglycol’s linear hydrocarbon chain enables the compound to have enhanced hardness and flexibility of polyesters.
Moreover, this property is utilized in the extending chains in polyurethanes.

1,6-Hexamethyleneglycol Chemical Properties
Melting point: 38-42 °C (lit.)
Boiling point: 250 °C (lit.)
Density: 0.96
Vapor pressure: 0.53 mm Hg ( 20 °C)
Refractive index: 1.457
Fp: 215 °F
Storage temp.: Store below +30°C.
Solubility H2O: 0.1 g/mL, clear, colorless
Form: Waxy Flakes
pka: 14.87±0.10(Predicted)
Color: White
PH: 7.6 (900g/l, H2O, 20℃)
Explosive limit: 6.6-16%(V)
Water Solubility: 500 g/L
Sensitive Hygroscopic
λmax λ: 260 nm Amax: 0.1
λ: 280 nm Amax: 0.1
Merck: 14,4690
BRN: 1633461
InChIKey: XXMIOPMDWAUFGU-UHFFFAOYSA-N
LogP: 0 at 25℃
CAS DataBase Reference: 629-11-8(CAS DataBase Reference)
NIST Chemistry Reference: 1,6-Hexamethyleneglycol(629-11-8)
EPA Substance Registry System: 1,6-Hexamethyleneglycol (629-11-8)

As 1,6-Hexamethyleneglycol contains the hydroxyl group, it undergoes the typical chemical reactions of alcohols such as dehydration, substitution, esterification.
Dehydration of 1,6-Hexamethyleneglycol gives oxepane, 2-methyltetrahydropyran and 2-ethyltetrahydrofuran.
Corresponding thiophene and pyrrolidone can be made by reacting 1,6-Hexamethyleneglycol with hydrogen sulfide and ammonia respectively.

Uses
1,6-Hexamethyleneglycol can improve the hardness and flexibility of polyesters as it contains a fairly long hydrocarbon chain.
In polyurethanes, 1,6-Hexamethyleneglycol is used as a chain extender, and the resulting modified polyurethane has high resistance to hydrolysis as well as mechanical strength, but with a low glass transition temperature.
1,6-Hexamethyleneglycol is also an intermediate to acrylics as a crosslinking agent, e.g. hexanediol diacrylate.
Unsaturated polyester resins have also been made from 1,6-Hexamethyleneglycol, along with styrene, maleic anhydride and fumaric acid.

Uses to study biomolecular condensates
1,6-Hexamethyleneglycol has been used to characterize biomolecular condensates.
The material properties of condensates can be examined to determine if they are solid or liquid condensates.
1,6-Hexamethyleneglycol has been reported to interfere with weak hydrophobic protein-protein or protein-RNA interactions that comprise liquid condensates.
1,6-Hexamethyleneglycol has been reported to dissolve liquid but not solid condensates.
2,5 hexanediol or 1,4-butanediol has been observed to have minimal effect on behavior of disorderd proteins as compared to 1,6-Hexamethyleneglycol.

Production
1,6-Hexamethyleneglycol is prepared by the hydrogenation of adipic acid or its esters.
Laboratory preparation could be achieved by reduction of adipates with lithium aluminium hydride, although this method is impractical on a commercial scale.

Production Methods
1,6-Hexamethyleneglycol is produced industrially by the catalytic hydrogenation of adipic acid or of its esters.
Mixtures of dicarboxylic acids and hydroxycarboxylic acids with C6 components formed in other processes (e.g., in cyclohexane oxidation) are also used.
Esterifification of "distillation heavies" with lower alcohols is often carried out before hydrogenation.
The acids are hydrogenated continuously at 170-240 ℃ and at 15.0-30.0 MPa on a suitable catalyst either in a trickle-flflow (downflflow) or a bubble-flflow (upflflow) fifixed-bed reactor.
The reactor temperature is controlled by circulating part of the reactor discharge.

The hydrogen required for the hydrogenation is fed together with the recycle gas through the recycle gas compressor to the reactor.
Side products of the synthesis are alcohols, ethers, diols, and esters.
Pure 1,6-Hexamethyleneglycol is obtained by fractional distillation of the crude reactor discharge.
For the hydrogenation of dicarboxylic acids, catalysts containing cobalt, copper, or manganese are suitable.
For the hydrogenation of esters, catalysts such as copper chromite or copper with added zinc and barium are used as "full catalysts" or on inert carriers.
Ruthenium, platinum, or palladium on inert supports can also be used.
Gas-phase hydrogenation of esters of adipic or 6-hydroxyhexanoic acid can be carried out at 1-7 MPa.
Both acids and esters also may be hydrogenated using suspended catalysts.
Oligomeric esters of the product diol and adipic acid can also be hydrogenated.

Synonyms
1,6-HEXANEDIOL
Hexane-1,6-diol
629-11-8
Hexamethylene glycol
1,6-Dihydroxyhexane
Hexamethylenediol
alpha,omega-Hexanediol
.alpha.,.omega.-Hexanediol
1,6-Hexylene Glycol
6-hydroxy-1-hexanol
DTXSID1027265
CHEBI:43078
NSC-508
ZIA319275I
1,1,6,6-D4-1,6-HEXANDIOL
27236-13-1
HEZ
CCRIS 8982
HSDB 6488
NSC 508
EINECS 211-074-0
BRN 1633461
UNII-ZIA319275I
AI3-03307
1,6hexanediol
1.6-hexanediol
1,6-hexandiol
1.6-hexandiol
.omega.-Hexanediol
1,6-hexane diol
1,6-hexan-diol
hexan-1,6-diol
Hexanediol-(1,6)
HEXANEDIOL [INCI]
1,6-Hexanediol, 97%
1,6-Hexanediol, 99%
EC 211-074-0
WLN: Q6Q
HO(CH2)6OH
SCHEMBL15343
CHEMBL458616
DTXCID907265
NSC508
1,6-HEXANEDIOL [HSDB]
HEXAMETHYLENE GLYCOL [MI]
Tox21_200450
MFCD00002985
AKOS003242194
CS-W011221
DB02210
NCGC00248624-01
NCGC00258004-01
AS-12686
BP-21412
CAS-629-11-8
FT-0607014
H0099
EN300-19325
1,6-Hexanediol, >=99% C6-Dioles basis (GC)
A834086
Q161563
J-504039
F0001-1701
Z104473540
InChI=1/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H
1,6-HEXANEDIOL

1,6-Hexanediol can be used for a variety of applications such as:
• a structure-directing agent for the synthesis of ZSM-5 zeolite
• a solvent for titanium tetraisopropoxide to form titanium oxide (TiO2) nanocrystals
• a phase change material in combination with lauric acid for thermal energy storage applications

CAS NO: 629-11-8
EC NO: 211-074-0

IUPAC NAME:
1,6-Hexanediol
1,6-hexanediol
1,6-Hexanediol
Cyclohexanone
hexane-1,6-diol
hexane-1,6-diol
Hexanediol

SYNONYMS:
Hexamethylene Glycol; Hexamethylenediol; HDO;;1,6-Dihydroxyhexane; omega-Hexanediol; alpha,omega-Hexanediol;;1,6-HEXANEDIOL;Hexane-1,6-diol;629-11-8;Hexamethylene glycol;1,6-Dihydroxyhexane;Hexamethylenediol;alpha,omega-Hexanediol;.alpha.,.omega.-Hexanediol;UNII-ZIA319275I;6-hydroxy-1-hexanol;1,6-Hexanediol, 97%;CHEBI:43078;ZIA319275I;MFCD00002985;HEZ;CCRIS 8982;1,6-Hexylene Glycol;HSDB 6488;NSC 508;1,6-Hexanediol solution;EINECS 211-074-0;BRN 1633461;AI3-03307;1,6hexanediol;1,6 hexanediol;1.6-hexanediol;1,6-hexandiol;1.6-hexandiol;.omega.-Hexanediol;1,6-hexane diol;1,6-hexan-diol;hexan-1,6-diol;Hexanediol-(1,6);ACMC-1AWZJ;DSSTox_CID_7265;1,6-Hexanediol, 99%;EC 211-074-0;WLN: Q6Q;DSSTox_RID_78376(CH2)6OH;DSSTox_GSID_27265;SCHEMBL15343;KSC354A3N;CHEMBL458616;NSC508;DTXSID1027265;CTK2F4036;NSC-508;KS-00000XA4;ZINC1555566;Tox21_200450;ANW-34445;SBB059915;AKOS003242194;CS-W011221;DB02210;MCULE-8817570517;NCGC00248624-01;NCGC00258004-01;AK116669;AS-12686;CAS-629-11-8;SC-26075;DB-027344;601-EP2308857A1;601-EP23720;FT-0607014;ST51046183;55472-EP2270101A1;55472-EP2284165A1;55472-EP2301919A1;55472-EP2308865A1;55472-EP2371805A;55472-EP2373601A2;1,6-Hexanediol solution, BioUltra, ~6 M in H2O;1,6-Hexanediol, >=99% C6-Dioles basis (GC);A834086;Q161563;J-504039;F0001-1701;Hexan-1,6-diol;1,6-Hexandiol ;1,6-Hexanediol ;1633461 [Beilstein];211-074-0 [EINECS];629-11-8 [RN];Hexamethylene glycol;hexane-1,6-diol;Hexanediol [Wiki];MFCD00002985 [MDL number];MO2100000;ZIA319275I;"HEXANE-1,6-DIOL";(R)-tert-Butyl 4-aminophenethyl(2-hydroxy-2-phenylethyl)carbamate;1, 6-Hexanediol;1,6-DIHYDROXYHEXANE;1,6-hexanediol 99%;1,6-hexanediol, 97%;1,6-hexanediol,98%;1,6-己二醇;140434-69-1 secondary RN [RN];4-01-00-02556 [Beilstein];5683-44-3 [RN];6-hydroxy-1-hexanol;HDO;Hexamethylenediol;Hexanediol-(1,6);Hexanediol, 1,6-;Hexylene Glycol;Q6Q [WLN];UNII-ZIA319275I;α,ω-Hexanediol;α,ω-Hexanediol;HEXANE-1,6-DIOL;HEXAMETHYLENE GLYCOL;HDO(R);1,6-DIHYDROXYHEXANE;1,6-HEXANEDIOL;1,6-HDO;1,6-HEXYLENE GLYCOL;HDO 1,6-Hexanediol Flakes;1,6-HEXANEDIOL (HDO);1,6-Hexadiol (flake and molten);1,6-Hexanediol, 97% 1KG;1,6-Hexanediol, 97% 2.5KG;1,6-Hexanediol solution, Additive Screening Solution 05/Fluka kit no 78374;1,6-Hexanediol,Hexamethylene glycol;1,6-Dihydroxyhexane Hexamethylene Glycol 1,6-Hexylene Glycol;1,6-HEXANEDIOL FOR SYNTHESIS;Additive Screening Solution 05/Fluka kit no 78374;116-HEXANEDIOL;6-Hexanediol;Hexamethylene Glycol 〔1,6-Hexanediol〕;1,6 Hexanediol HM;1,6-HEXANEDIOL, 98%1,6-HEXANEDIOL, 98%1,6-HEXANEDIOL, 98%1,6-HEXANEDIOL, 98%;ai3-03307;alpha,omega-Hexanediol;Hexanediol-(1,6);omega-hexanediol;1,6-Hexandiol;1,6-Hexanediol solution, 6 M;1,6-Hexanediol 3 M Solution;1,6-Hexanediol,97%;1,6-hexanediol solution;1,6-Hexanediol>;Hexan-1,6-diol;1,6-HEXANEDIOL FOR SYNTHESIS 100 G;1,6-HEXANEDIOL FOR SYNTHESIS 1 KG;Adipol;1.6-Dihydroxyhexane;HDO;Hexamethyleneglycol-(1,6);1.6-Hexamethyleneglycol;Hexane-1,6-diol;1,6-dihydroxyhexane;hexamethylene glycol;hexamethylenediol;hexan-1,6-diol;alpha,omega- hexane diol;hexane-1,6-diol;hexanediol;HDO(R);1,6-HDO;ai3-03307;6-Hexanedl;1,6-Hexandiol;1,6-HEXANEDIOL;116-HEXANEDIOL;Hexan-1,6-diol;HEXANE-1,6-DIOL;Hexanediol-(1,6);1,6-hexanediol, hexamethylene glycol, 1,6-dihydroxyhexane, hexamethylenediol, alpha,omega-hexanediol, .alpha.,.omega.-hexanediol, unii-zia319275i, ccris 8982, 6-hydroxy-1-hexanol, 1,6-hexylene glycol

1,6-HEXANEDIOL

PHYSICAL STATE

white waxy solid
MELTING POINT 41 - 43 C
BOILING POINT 250 C
SPECIFIC GRAVITY 0.97
SOLUBILITY IN WATER 500 g/l
SOLVENT SOLUBILITY soluble in alcohol sparingly soluble in hot ether
pH
VAPOR DENSITY 4.1
HENRY LAW CONSTANT 2.23E-10 (atm-m3/mole at 25 C)
OH RATE CONSTANT 1.30E-11 (cm3/molecule-sec at 25 C Atmospheric)
AUTOIGNITION
NFPA RATINGS Health: 1; Flammability: 0; Reactivity: 0
REFRACTIVE INDEX 1.457
FLASH POINT 101 C
STABILITY Stable under ordinary conditions

1,6-Hexanediol is an organic compound with the formula (CH2CH2CH2OH)2. It is a colorless water-soluble solid.
Production
1,6-Hexanediol is prepared by the hydrogenation of adipic acid or its esters. Laboratory preparation could be achieved by reduction of adipates with lithium aluminium hydride, although this method is impractical on a commercial scale.
Properties
As 1,6-hexanediol contains the hydroxyl group, it undergoes the typical chemical reactions of alcohols such as dehydration, substitution, esterification.
Dehydration of 1,6-hexanediol gives oxepane, 2-methyltetrahydropyran and 2-ethyltetrahydrofuran. Corresponding thiophene and pyrrolidone can be made by reacting 1,6-hexanediol with hydrogen sulfide and ammonia respectively.

Uses
1,6-Hexanediol is widely used for industrial polyester and polyurethane production.
1,6-Hexanediol can improve the hardness and flexibility of polyesters as it contains a fairly long hydrocarbon chain. In polyurethanes, it is used as a chain extender, and the resulting modified polyurethane has high resistance to hydrolysis as well as mechanical strength, but with a low glass transition temperature.
It is also an intermediate to acrylics as a crosslinking agent, e.g. hexanediol diacrylate. Unsaturated polyester resins have also been made from 1,6-hexanediol, along with styrene, maleic anhydride and fumaric acid.

Safety
1,6-Hexanediol has low toxicity and low flammability, and is generally considered as safe. It is not irritating to skin, but may irritate the respiratory tract or mucous membranes. Dust or vapor of the compound can irritate or damage the eyes.

1,6-Hexanediol is produced industrially by the catalytic hydrogenation of adipic acid or of its esters. Mixtures of dicarboxylic acids and hydroxycarboxylic acids with C6 components formed in other processes (e.g., in cyclohexane oxidation) also can be used. Esterification of "distillation heavies" with lower alcohols is ofter carried out before hydrogenation.
IDENTIFICATION: 1,6-Hexanediol is a crystalline, needle-like solid. It is very soluble in water. USE: 1,6-Hexanediol is an important commercial chemical. It is used to make other chemicals, in the production of nylon, in gasoline refining and as a plasticizer. EXPOSURE: Workers that use 1,6-hexanediol may breathe in vapors or have direct skin contact. The general population is not likely to be exposed to 1,6-hexanediol. If 1,6-hexanediol is released to the environment, it will be broken down in air. It is not expected to be broken down by sunlight. It will not move into air from moist soil and water surfaces. It is expected to move quickly through soil. It will be broken down by microorganisms, and is not expected to build up in fish. RISK: Data on the potential for 1,6-hexanediol to produce toxic effects in humans were not available. 1,6-Hexanediol is a mild eye irritant in laboratory animals. It did not produce skin irritation or allergic skin reactions following direct skin exposure.

USES
•General adhesives and binding agents for a variety of uses
•Relatived to the maintenance and repair of automobiles, products for cleaning and caring for automobiles (auto shampoo, polish/wax, undercarriage treatment, brake grease)
•Binding agents, used in paint, sand, etc
•Various types of paint for various uses, modifiers included when more information is known
•Related to the building or construction process for buildings or boats (includes activities such as plumbing and electrical work, bricklaying, etc)
•Flooring materials (carpets, wood, vinyl flooring), or related to flooring such as wax or polish for floors
•Wall construction materials, or wall coverings
•Related to all forms of cleaning/washing, including cleaning products used in the home, laundry detergents, soaps, de-greasers, spot removers, etc; mod
•Term used for colorants, dyes, or pigments; includes colorants for drugs, textiles, personal care products (cosmetics, tatoo inks, hair dye), food colorants, and inks for printing; modifiers included when application is known
•General construction (as opposed to those things labeled building_construction)
•Drug product, or related to the manufacturing of drugs; modified by veterinary, animal, or pet if indicated by source
•Includes antifoaming agents, coagulating agents, dispersion agents, emulsifiers, flotation agents, foaming agents, viscosity adjustors, etc
•Includes food packaging, paper plates, cutlery, small appliances such as roasters, etc.; does not include facilities that manufacture food
•Plastic products, industry for plastics, manufacturing of plastics, plastic additives (modifiers included when known)
•Leather products, and products/chemicals used in the process of tanning and dressing leather
•IRelated to the manufcturing of pulp or paper products, or paper products in general
•Textiles used for clothing or furniture upholstery, processes related to textiles
•Wood used as a building material, wood preservatives
•Term used for colorants, dyes, or pigments; includes colorants for drugs, textiles, personal care products (cosmetics, tatoo inks, hair dye), food colorants, and inks for printing; modifiers included when application is known
•Generic lubricants, lubricants for engines, brake fluids, oils, etc (does not include personal care lubricants)
•chemical General term used only when the only information known from the source is 'chemical,' typically related to manufacturing of chemicals, or laboratory chemicals
•Furniture, or the manufacturing of furniture (can include chairs and tables, and more general furniture such as mattresses, patio furniture, etc.)
•Inks used for printing or writing; modifier included when application is known.
•Leather products, and products/chemicals used in the process of tanning and dressing leather
•Manufacturing of or related to machinery, for production of cement or food, air/spacescraft machinery, electrical machinery, etc
•Related to metals - manufacturing of metals, casting of metals, production of metals, surface treatment of metals, etc
•Various types of paint for various uses, modifiers included when more information is known
•Plastic products, industry for plastics, manufacturing of plastics, plastic additives (modifiers included when known)
•Raw materials used in a variety of products and industries (e.g. in cosmetics, chemical manufacturing, production of metals, etc); modifiers included when known to indicate what the raw materials are used for
•Various types of paint for various uses, modifiers included when more information is known
•Relatived to the maintenance and repair of automobiles, products for cleaning and caring for automobiles (auto shampoo, polish/wax, undercarriage treatment, brake grease)
•Volatile and semivolative organic compounds
•Modifier included when source indicates the product is water based
•Inks used for printing or writing; modifier included when application is known
•Surface treatments for metals, hardening agents, corrosion inhibitors, polishing agents, rust inhibitors, water repellants, etc (surfaces to be applied to often not indicated in source description)
•Related to metals - manufacturing of metals, casting of metals, production of metals, surface treatment of metals, etc.

SHORT SUMMARY WHICH SUPPORTS THE REASONS FOR THE CONCLUSIONS AND RECOMMENDATIONS. The production volume of this chemical in Germany was 10,000-50,000t in 1991. The total production volume is used as an intermediate in chemical industry for the synthesis of polyesters and polyesterol-type polyurethanes, which are used for paints, laquers and varnishes.

GENERAL DESCRIPTION: Diols contribute to high water solubility, hygroscopicity and reactivity with many organic compounds, on usually linear and aliphatic carbon chain. 1,6-Hexanediol, linear diol containing two primary hydroxyl groups at terminal locations for reaction of di-substitution, is used as an intermediate in polymer syntheses (nylon, polyesters manufacturing). The main application field is polyurethanes manufacturing. It is also used in gasoline refining and in pharmaceutical manufacturing. Alcohols are very weak acids as they lose H+ in the hydroxyl group. Alcohols undergoes dehydration reaction which means the elimination of water molecule replaced by a pi bond between two adjacent carbon atoms to form alkenes under heating in the presence of strong acids like hydrocloric acid or phosphoric acid. Primary and secondary alcohols can be oxidized to aldehydes and ketones respectively. Carboxylic acids are obtained from oxidation of aldehydes. Oxidation in organic chemistry can be considered to be the loss of hydrogen or gain of oxygen and reduction to gain hydrogen or loss of oxygen. Tertiary alcohols do not react to give oxidation products as they have no H attached to the alcohol carbon. Alcohols undergoes important reactions called nucleophilic substitution in which an electron donor replaces a leaving group, generally conjugate bases of strong acids, as a covalent substitute of some atom. One of important reaction of alcohol is condensation. Ethers are formed by the condensation of two alcohols by heating with sulfuric acid; the reaction is one of dehydration. Almost infinite esters are formed through condensation reaction called esterification between carboxylic acid and alcohol, which produces water. Alcohols are important solvents and chemical raw materials. Alcohols are intermediates for the production of target compounds, such as pharmaceuticals, veterinary medicines, plasticizers, surfactants, lubricants, ore floatation agents, pesticides, hydraulic fluids, and detergents.

1, 6-Hexanediol. It contains terminally located hydroxyl groups which results in rapid and simultaneous reactions in the formation of numerous di-substituted products. Used in synthesis of specialty chemicals. Applications include manufacturing of polymers such as polyurethanes, polyesters, and polycarbonate diols.
Hexane-1,6-diol is a diol that is hexane substituted by hydroxy groups at positions 1 and 6. It is a diol and a primary alcohol. It derives from a hydride of a hexane.
1,6-Hexandiol’s long hydrocarbon chain gives the compound the ability to improve the flexibility and hardness of polyesters. It is also used as a chain extender in polyurethanes. The resulting modified polyurethane has high resistance to hydrolysis as well as mechanical strength, but with a low glass transition temperature.

Additionally, 1,6-Hexandiol is used as an intermediate in the manufacture of acrylics, adhesives, and dyestuffs. Styrene, maleic anhydride, fumaric acid, and unsaturated polyester resins have also been made from 1,6-hexanediol.

Consumer applications include use in the manufacture of ink, toner, and colorant products as well as for paint and coatings production.
1,6-Hexanediol is raw material for polyurethane coatings, polyester resins and polycarbonatediol resins. It is also used as a raw material to make reactive diluent for epoxy resin. The chemical structure of 1,6-hexanediol, which contains terminally located hydroxyl groups, makes it highly reactive and useful for the manufacture of a variety of derivatives. It is also used as a raw material for a UV curing material, which is expanding market share as an environmentally friendly coating material that do not use solvents.

Description
1,6-Hexanediol is a waxy hygroscopic solid compound that is white in colour. The compound is a linear diol that contains two primary hydroxyl groups that are located at the terminal. 1,6-Hexanediol’s linear hydrocarbon chain enables the compound to have enhanced hardness and flexibility of polyesters. Moreover, this property is utilized in the extending chains in polyurethanes.

Preparation
1,6-Hexanediol is produced by a propriety process that is based on BASF technology. Industrially, it is prepared by the hydrogenation of adipic acid. Conversely, in the laboratory, 1,6-Hexanediol can be synthesized by the reduction of adipic acid with lithium aluminum hydride.

Uses and Applications
Polyurethanes
1,6-Hexanediol is widely utilized in the manufacture of polyesterols such as sebacates, azelates, and adipates. These compounds are resistant to hydrolysis and have low glass transition temperature as well as high mechanical levels. 1,6-hexanediol is used as an ingredient in the preparation of a wide range of tailor-made products for numerous specialty and standard applications.

In Acrylics
1,6-hexanediol is utilized as an ingredient in the manufacture of the bifunctional hexanediol diacrylate which is a monomer that is normally used in conjunction with other acrylic monomers as a reactive diluent for decorative coatings and printing inks.

In Adhesives
Urethanes and co-terephthalates that are based on 1,6-hexanediol provide faster better tack properties and crystallization. Due to its low glass transition property, 1,6-hexanediol offers high flexibility as well as excellent adhesive properties.

Other Uses
1,6-hexanediol is incorporated into the production of other compounds used in polymeric thickeners, sizing agents, plasticizers for polyvinyl chloride, pesticides, and surfactants dyestuffs as a flexible building block.

Safety
1,6-hexanediol is a no-irritating to the skin. However, it can be irritative to the respiratory tract and mucous membrane. 1,6-hexanediol vapours or dust cause irritation to the eye. Severe eye exposure may cause conjunctivitis, iritis, and diffuse corneal opacity.

Chemical Properties
white waxy flakes

Uses
Solvent, intermediate for high polymers (nylon, polyesters), coupling agent, coil coating.

1,6-Hexanediol (HDO) is an important precursor in the polymer industry. The current industrial route to produce 1,6-Hexanediol involves energy intensive and hazardous multistage (four-pot–four-step) chemical reactions using cyclohexane (CH) as the starting material, which leads to serious environmental problems. Here, we report the development of a biocatalytic cascade process for the biotransformation of CH to 1,6-Hexanediol under mild conditions in a one-pot–one-step manner. This cascade biocatalysis operates by using a microbial consortium composed of three E. coli cell modules, each containing the necessary enzymes. The cell modules with assigned functions were engineered in parallel, followed by combination to construct E. coli consortia for use in biotransformations. The engineered E. coli consortia, which contained the corresponding cell modules, efficiently converted not only CH or cyclohexanol to 1,6-Hexanediol, but also other cycloalkanes or cycloalkanols to related dihydric alcohols. In conclusion, the newly developed biocatalytic process provides a promising alternative to the current industrial process for manufacturing 1,6-Hexanediol and related dihydric alcohols.

Physical Hazards
1,6-Hexanediol is stable under normal conditions of use. Heating to decomposition may release carbon monoxide, carbon dioxide and other potentially toxic fumes or gases. Avoid heat, open
flames and other potential sources of ignition.

1,6-Hexanediol (HDO) is straight chained, bifunctional primary alcohol. 1,6-HEXANEDIOL is commonly used in polycarbonate diols, reactive diluents, saturated and unsaturated polyester resins, hot melt adhesives and in the production of polyester polyols. It is used as a chain extender in polyurethane production, creating products with mechanical strength and a high resistance to hydrolysis. 1,6-HEXANEDIOL is a monomer for Acrylic & Methacrylic Oligomers. 1,6-HEXANEDIOL is a chemical intermediate for polymeric plasticizers, surfactants, and other specialty chemicals. is a white waxy solid at room temperature and has a melting point of 42°C. 1,6-Hexanediol dissolves in a wide variety of organic solvents and water. HDO is an organic compound with the formula HOCH2(CH2)4CH2OH.

1,6-HEXANEDIOL is commonly used in polycarbonate diols, reactive diluents, saturated and unsaturated polyester resins, hot melt adhesives and in the production of polyester polyols. It is used as a chain extender in polyurethane production, creating products with mechanical strength and a high resistance to hydrolysis. 1,6-HEXANEDIOL is a monomer for Acrylic & Methacrylic Oligomers. 1,6-HEXANEDIOL is a chemical intermediate for polymeric plasticizers, surfactants, and other specialty chemicals.

1,6-Hexanediol is most often created through the hydrogenation of adipic acid or its esters.

1,6-Hexanediol is used in polymer synthesis such as polyester, polyurethane and nylon. It is used as an intermediate to adhesives, acrylics and dyestuffs. Further, it is employed in gasoline refining and pharmaceutical production.

1,6-Hexanediol diacrylate is used as a functional monomer for polymers. It acts as a cross linking agent between the molecular chains of polymers. Further, it is used in adhesives, sealants, alkyd coatings, elastomers, photopolymers, and inks for improved adhesion, hardness, abrasion and heat resistance.

1,6-Hexanediol HDO is a building block for saturated polyesters and polyurethanes acrylic esters of 1,6-Hexanediol are used as reactive diluent for UV-coatings. 1,6-Hexanediol is used in polyesters for solvent-borne paints, in stoving enamels for automotive coatings, for can-& coil-coating and for general applications. It is preferentially used in two-component paints for plastic coatings and repair coatings. It is suitable for polyester plasticizers and in soft segments for polyurethanes.

1,6-Hexanediol shows an optimum balance of flexibility and toughness (excellent flexibility in combination with sufficient hardness) in polyesters and polyurethane.

1,6-Hexanediol1,6-Hexanediol is used as an intermediate in polymer syntheses (nylon, polyesters manufacturing). The main application field is polyurethanes manufacturing, to produce UV coating active monomer (HDDA), Polycarbonatediol(PCD) and many products in Polyesters fields. It is also used in gasoline refining and in pharmaceutical manufacturing.

1,6-Hexanediol is an organic compound with the formula (CH2CH2CH2OH)2. It is a colorless water-soluble solid.

Used as a solvent, an intermediate for nylon and polyesters, a coupling agent, a coal coating, a plasticizer, and in gasoline refining and the production of varnishes, adhesives, drugs, and textiles; [HSDB]

1,6-Hexanediol (HOCH2(CH2)4CH2OH) is a colorless crystalline solid that melts at 42 °C and boils at 250 °C.It is soluble in water and is hygroscopic.

1,6-Hexanediol, 99% Cas 629-11-8 - used as a chain extender, and the resulting modified polyurethane has high resistance to hydrolysis as well as mechanical strength, but with a low glass transition temperature.

The 1,6-Hexanediol, with the cas registry number 629-11-8, has the IUPAC name of hexane-1,6-diol. Being a kind of white acicular crystal, it is hygroscopic, and is soluble in water and ethanol while insoluble in benzene. Besides, its product categories are including Industrial/Fine Chemicals; alpha,omega-Alkanediols; alpha,omega-Bifunctional Alkanes; Monofunctional & alpha,omega-Bifunctional Alkanes; Optimization Reagents; Protein Structural Analysis; X-Ray Crystallography.

The production method of this chemical is as below: go through the catalytic reduction of the Dimethyl adipate for synthesis with the existence of Sodium Metal and ethanol to get the products or have the catalytic reduction of 2,4diyne-1,6-diol to get this chemical.

As to its usage, it is widely applied in many ways. It could be used in producing polyurethane, unsaturated polyester, plasticizer, hardening agent of gelatinizing agent, and ameliorant of lubricating oil; It could also be used in producing in pesticide cinerin, organic peroxide