HEXYLENE GLYCOL

CAS Number: 107-41-5
EINECS/ELINCS No:203-489-0
COSING REF No:    34283
INN Name:hexylene glycol
Chem/IUPAC Name:2-Methylpentane-2,4-diol
SYNONYMS :2-METHYL-2,4-PENTANEDIOL;107-41-5;2-Methylpentane-2,4-diol;Diolane;Pinakon;2,4-Pentanediol, 2-methyl-;2,4-Dihydroxy-2-methylpentane;Isol;4-Methyl-2,4-pentanediol;1,1,3-Trimethyltrimethylenediol;2-Methyl pentane-2,4-diol;Caswell No. 574;2-Methyl-2,4-pentandiol;Hexylene glycol [NF];HSDB 1126;(+-)-2-Methyl-2,4-pentanediol;NSC 8098;alpha,alpha,alpha'-Trimethyltrimethylene glycol;EINECS 203-489-0;EPA Pesticide Chemical Code 068601;BRN 1098298;AI3-00919;1,3-dimethyl-3-hydroxybutanol;CHEBI:62995;1,3,3-trimethyl-1,3-propanediol;MFCD00004547;Hexylene glycol (NF);DSSTox_CID_1885;DSSTox_RID_76384;DSSTox_GSID_21885;UNII-KEH0A3F75J;2-Methyl-2,4-pentanediol, 99%;CAS-107-41-5;(4R)-2-METHYLPENTANE-2,4-DIOL;2-Methylpentan-2,4-diol;2-Methyl-pentane-2,4-diol;CCRIS 9439;KEH0A3F75J;284474-72-2;Hexylene glycol, 99%;R-(-)-2-METHYL-2,4-PENTANEDIOL;(+/-)-Hexylene glycol;2methyl-2,4-pentanediol;(+-)-2-methyl-2;2-methyl-2-4-pentanediol;EC 203-489-0;Hexylene glycol, >=99%;Hexylene glycol, 99.5%;ACMC-1BS78;(+/-)-2-methyl-2;SCHEMBL19379;2-Methylpentane-2,4-diol.;HGL; 1,1,3-trimethyl-triethylenediol; diacetone glycol; methylamilene glycol; 2,4-dihydroxy-2-methyl-pentane; 2,4- pentanediol, 2-methyl, 2-methylpentane-2,4-diol; 1,3-Trimethyltrimethylenediol;4-01-00-02565 (Beilstein Handbook Reference);KSC489M3B;CHEMBL2104293;DTXSID5021885;CTK3I9630;KS-00000VEM;NSC8098;HMS3264E19;1,1,3-trimethyl-1,3-propanediol;HY-B0903;NSC-8098;Hexylene glycol, analytical standard;Tox21_201975;Tox21_302818;(+/-)-2-Methyl-2,4-pentanediol;2-Methyl-2,4-pentanediol, 99+%;ANW-15793;SBB061336;AKOS015901459;CCG-213719;MCULE-5281049691;WLN: QY1 & 1XQ1 & 1;NCGC00249143-01;NCGC00256494-01;NCGC00259524-01;(+/-)-2,4-Dihydroxy-2-methyl pentane;AC-13749;AS-58339;Hexylene glycol, BioXtra, >=99% (GC);(^+)-2-Methyl-2,4-pentanediol, 98%;DB-057767;LS-101663;FT-0605050;FT-0605756;FT-0613069;Hexylene glycol, puriss., >=99.0% (GC);M0384;ST51047360;.alpha.,.alpha.'-Trimethyltrimethylene glycol;Hexylene glycol, BioUltra, >=99.0% (GC);D04439;AB01563179_01;J-640306;J-660006;Q2792203;W-108748;Hexylene glycol, United States Pharmacopeia (USP) Reference Standard;HEXYLENE GLYCOL;2-methylpentane-2,4-diol;2,4-Pentanediol, 2-methyl-;Hexylene glycol, PharmaGrade, USP/NF, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production
Purity (% by weight) : ≥ 99,5
Appearance at 20°C : clear liquid free from suspended materials
Density at 20°C (g/cm3) : 0,920 - 0,923
Boiling point at 1013 Pa : 197,5°C
Flash point (closed cup) : 97°C
Water solubility at 20°c : complete
Markets: Chemical and plastics industry, Consumer goods, Food industry and agrochemicals, General industry, Paint, coatings and adhesives
Hexylene Glycol or HEXYLENE GLYCOL is an oxygenated solvent derived from acetone which has two alcohol functions. It has a low evaporation rate and it is completely miscible with water.
It is mainly used as a solvent or coupling agent. It is a potential substitute for glycol ethers. It is also an effective shrinkage reduction admixture or SRA for concrete and mortar. Hexylene glycol can also be used as a building block in chemical synthesis.
Hexylene glycol is a key solvent in many markets such as paints & coatings, metal working fluids, detergency, cosmetics & fragrances, textiles & leather.
Butylene Glycol, Hexylene Glycol, Ethoxydiglycol and Dipropylene Glycol are clear, practically colorless, liquids. In cosmetics and personal care products, these ingredients are used in the formulation of hair and bath products, eye and facial makeup, fragrances, personal cleanliness products, and shaving and skin care products.
Hexylene glycol
2-Methyl-2,4-pentanediol (also known as hexylene glycol) has a mild, sweetish odor. It is a colorless, volatile liquid. It will dissolve inks and cosmetics. EXPOSURE: Exposure to 2-methyl-2,4-pentanediol can be from inhalation and skin contact with products containing this chemical. It has a low vapor pressure and can absorb moisture from the air. Industrial use at room temperature should not create a vapor hazard. At higher temperatures, it can produce irritation. If 2-methyl-2,4-pentanediol is released to the environment, it will be broken down rapidly in air. It can travel down through the soil into groundwater. 2-Methyl-2,4-pentanediol is biodegradable. It does not build up in aquatic organisms. RISK: 2-Methyl-2,4-pentanediol can cause irritation to the skin and eyes with direct contact. Breathing in high concentrations of 2-methyl-2,4-pentanediol in mists can cause irritation of the nose, throat, and lungs. Headache, dizziness, nausea, incoordination and central nervous system depression have also been reported. The U.S. EPA IRIS program, the International Agency for Research on Cancer, and the U.S. National Toxicology Program Twelfth Report on Carcinogens have not evaluated the potential for 2-methyl-2,4-pentanediol to cause cancer in humans. (1-7; SRC; 2014)
Is hexylene glycol safe for skin?
The FDA has approved Hexylene Glycol and the CIR found it an acceptable solvent in skin care products. So it is perfectly safe when used in a personal care formula.
Is hexylene glycol toxic?
Hexylene glycol is moderately toxic after oral administration and slightly toxic after ap- plication to the intact skin. ... Exposure of the eye to undiluted hexylene glycol or to the vapour causes marked irritation. The substance has only little potential to cause sensitization in man.
Is hexylene glycol natural?
Butylene glycol, hexylene glycol, and caprylyl glycol are all naturally occurring compounds which are frequently used in many skincare products for their safety and effectiveness.
What is hexylene glycol derived from?
Hexylene glycol is a clear, hygroscopic liquid with a mild, sweet odor. Hexylene glycol can also be synthetically produced. It is manufactured by the condensation of 2 molecules of acetone to produce diacetone alcohol, which is further hydrogenated to produce hexylene glycol.
What is hexylene glycol used for?
Hexylene glycol is a low-evaporating solvent with complete water solubility. It is mainly used as a surfactant or emulsifying agent. Hexylene glycol is widely used in the coating industry as a component for lacquers, varnishes, printing inks and both oil and water-based paints.
Is hexylene glycol the same as propylene glycol?
Hexylene glycol (HG), also known as 2-meth- yl-2,4-pentanediol and as 2,4-pentanediol, 2-methyl, is used as a defoaming agent, coup- ling agent and emulsifier. ... Of the diols, propylene glycol (PG) is a well- known irritant and contact sensitizer (3-5).
Hexylene glycol (HG). which has been used for years in industrial chemicals and cosmetics, has recently been introduced in topical corticosteroids. We studied the irritant and sensitizing properties of HG in eczema patients. HG at 50% or 30% and propylene glycol (PG) 30% in water were patch tested in 823 eczema patients subjected to routine patch testing. Oedema and erythema reactions from HG occurred in 2.8% of the patients. The corresponding result for PG was 3.8%. 50% HG equalled 30% PG in producing a visible reaction. In patch tests with dilution series. 2 patients reacted to 1% HG, but in both cases ROAT with HG remained negative. One other patient with a 3 + patch test reaction to both 30% PG and 50% HG had a positive ROAT result in 30% HG in water and to 5% PG in a cream base PG, but not HG, increased transepidermal water loss both in atopic normal‐looking skin and among healthy controls. The present results suggest that HG is less irritating than PG under occlusion, but that delayed contact allergic reactions may occur.
Chemical Properties
Hexylene Glycol is an oily colorless liquid with a mild sweet odor. It is an oxygenated solvent derived from acetone which has two alcohol functions. It has a low evaporation rate and it is completely miscible with water.
Uses
Hexylene Glycol is used as a reagent in the synthesis of functionalized boronic esters. it is used in laboratory studies as a precipitant and cryoprotectant in protein crystallography.
Also used in the preparation of vinylboronates.
It is mainly used  as a coupling agent and an additive to hydraulic fluids, inks and cement. Further, it is used as a solvent for cleaning and colorant products.
It is a potential substitute for glycol ethers.
It is an effective shrinkage reduction admixture or SRA for concrete and mortar.
It can also be used as a building block in chemical synthesis.
Hexylene glycol is a key solvent in many markets such as paints & coatings, metal working fluids, detergency, cosmetics & fragrances, textiles & leather.It is used to control the flow properties of industrial products such as paints, coatings, cleansers, solvents, and hydraulic fluids. It acts as a thickening agent in cosmetic products.
It is also employed as a blood volume expander.
Uses: hexylene glycol could be considered a solubilizer,Fuel and lubricant additive; solvent in cosmetics; solvent in petroleum refining; coupling agent in hydraulic brake fluid and printing inks; gasoline anti-icer additive
Production Methods :2-Methyl-2,4-pentanediol is prepared commercially by the catalytic hydrogenation of diacetone alcohol . It is used as a chemical intermediate, a selective solvent in petroleum refining, a component of hydraulic fluids, a solvent for inks, and as an additive for cement . Industrial exposure is likely to be from direct contact or from inhalation, particularly if the material is heated.
Definition ChEBI: A glycol in which the two hydroxy groups are at positions 2 and 4 of 2-methylpentane (isopentane).
General Description : Oily colorless liquid with a mild sweet odor. Floats and mixes slowly with water.
Air & Water Reactions: Hygroscopic. Water soluble [Hawley]
Reactivity Profile: 2-Methyl-2,4-pentanediol is incompatible with the following: Strong oxidizers, strong acids [Note: Hygroscopic (i.e., absorbs moisture from the air).] .
Hazard: Toxic by ingestion and inhalation; irritant to skin, eyes, and mucous membranes. Combustible.
Health Hazard :Irritation of eyes, nose and throat; headache, dizziness, and nausea.
Chemical Reactivity:Reactivity with Water No reaction; Reactivity with Common Materials: Can catch fire when in contact with porous materials such as wood, asbestos, cloth, soil, or rusty metals; Stability During Transport: Stable at ordinary temperatures, however when heated this material can decompose to nitrogen and ammonia gases. The decomposition is not generally hazardous unless it occurs in confined spaces; Neutralizing Agents for Acids and Caustics: Flush with water and neutralize the resulting solution with calcium hypochlorite; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
Purification Methods: Dry the diol with Na2SO4, then CaH2 and fractionally distil it under reduced pressure through a packed column, taking precautions to avoid absorption of water. 
2-Methyl-2,4-pentanediol (MPD) is an organic compound with the formula (CH3)2C(OH)CH2CH(OH)CH3. This colourless liquid is a chiral diol. It is produced industrially from diacetone alcohol by hydrogenation.[3] Total European and USA production was 15000 tonnes in 2000.[4]
2-Methyl-2,4-pentanediol exists as two enantiomers, (4R)-(-) and (4S)-(+). In the Protein Data Bank, the 3-letter code "MPD" refers to the (S)-(-) enantiomer, while "MRD" is used to refer to the (R)-(+) version. Commercial products labeled "MPD" are usually the racemate,[5] also sold as and referred to as "hexylene glycol".[6][7]
2-Methyl-2,4-pentanediol (MPD) is an organic compound with the formula (CH3)2C(OH)CH2CH(OH)CH3. This colourless liquid is a chiral diol. It is produced industrially from diacetone alcohol by hydrogenation.[3] Total European and USA production was 15000 tonnes in 2000.[4]
2-Methyl-2,4-pentanediol exists as two enantiomers, (4R)-(-) and (4S)-(+). In the Protein Data Bank, the 3-letter code "MPD" refers to the (S)-(-) enantiomer, while "MRD" is used to refer to the (R)-(+) version. Commercial products labeled "MPD" are usually the racemate,[5] also sold as and referred to as "hexylene glycol".[6][7]
In the laboratory it is a common precipitant and cryoprotectant in protein crystallography.[12] Since hexylene glycol is compatible with polar and nonpolar molecules, it competes with the solvent in a crystallography experiment causing the protein to precipitate.[13] Hexylene glycol is so effective in protein crystallography because its amphiphilic nature and small, flexible structure allows it to bind to many different locations on a protein secondary structure including alpha helices and beta sheets.[14] When hexylene glycol binds to these different locations, water is removed and the protein crystals anneal, which prevents ice formation during cryocrystallography techniques.[15] Incorporation of hexylene glycol into solution has been known to improve the resolution of X-ray diffraction making protein structures easily identifiable.[16] Additionally hexylene glycol is not a strong denaturing agent and thus does not significantly alter the structure of a protein during the crystallography procedure.[14]
Skin: Wear appropriate personal protective clothing to prevent skin contact.
Eyes: Wear appropriate eye protection to prevent eye contact.
Wash skin: The worker should immediately wash the skin when it becomes contaminated.
Remove: Work clothing that becomes wet or significantly contaminated should be removed and replaced.
Change: No recommendation is made specifying the need for the worker to change clothing after the work shift.
Provide: Eyewash fountains should be provided in areas where there is any possibility that workers could be exposed to the substance; this is irrespective of the recommendation involving the wearing of eye protection. (NIOSH, 2016)
Eye: If this chemical contacts the eyes, immediately wash the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Contact lenses should not be worn when working with this chemical.
Skin: If this chemical contacts the skin, immediately wash the contaminated skin with water. If this chemical penetrates the clothing, immediately remove the clothing and wash the skin with water. If symptoms occur after washing, get medical attention immediately.
Breathing: If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. If breathing has stopped, perform mouth-to-mouth resuscitation. Keep the affected person warm and at rest. Get medical attention as soon as possible.
Swallow: If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2016)
General industry practice is to store HG in carbon steel
vessels.
Hexylene glycol should be stored only in tightly closed, properly vented containers away from heat, sparks, open flame or strong oxidizing agents.Handle empty containers carefully. Combustible residue remains after emptying. Provided proper storage and handling precautions are taken, HG manufactured and delivered by Monument Chemical is stable for at least 24 months from the date of manufacture. HG that is subsequently repackaged, handled and/or delivered by third parties may have a different shelf life and may require third party shelf life studies. Product past the retest date should be evaluated to confirm that all specifications are within their limits before use
Hexylene glycol is formed from the achiral reagents hydrogen and diacetone alcohol.
Hexylene Glycol is stored in bulk storage or stainless steel drums and is transported by tank truck.  It is classed as non-hazardous for air, sea, and road freight but is classed as an irritant.  It has a specific gravity of 0.925 and a flash point of 93 °C (closed cup).
The single largest user of hexylene glycol is the industrial coatings industry which uses approximately 45% of the HGL produced world-wide.  It is a component in lacquers and varnishes, and is a solvent plasticiser in surface coatings.  It is also a component in both oil and water- based paints, and in paint strippers.
Hexylene glycol is also used as a chemical intermediate, which accounts for approximately 20% of its consumption, and another 10% is used on oil and natural-gas fields where it is both a down hole lubricant, and a grinding and extraction aid.
Hexylene glycol is also employed as an antifreeze, and as a coupling agent for hydraulic fluids.  It is a moisturising, and setting, agent in the manufacture of textiles and can also be found in the cosmetics industry where it is a component of fragrances and bath, hair, and soap preparations.  It also has a role as a wetting agent in pesticide formulations and is a solvent in the preparation of dyes.
Hexylene glycol is a colourless liquid organic compound with a characteristic sweet odour. It is viscous and miscible with the most common organic solvents, fatty acids and water.
Hexylene glycol occurs as a component in a large number of products for industrial, professional and consumer use. There is a potential for occupational and consumer exposure through inhalation and skin contact.
The pure substance is an eye and skin irritant. It is only professionally or industrially used and must be handled under stringent safety conditions in accordance with the risk management measures to keep the exposure as low as possible to preserve human health and environment.
Hexylene glycol is formulated in suitable concentrations for consumer applications, according to appropriate regulations, to ensure safe use of the final product in the conditions of use written on the product packaging.
Hexylene glycol is a low-evaporating solvent with complete water solubility. It is mainly used as a surfactant or emulsifying agent.
Hexylene glycol is widely used in the coating industry as a component for lacquers, varnishes, printing inks and both oil and water-based paints.
It is also used as an inert ingredient in pesticide formulations, as a solvent in dyes preparations, as a coupling agent for hydraulic fluids in the automotive industry, as a wetting agent, as an anti-caking agent for cement and siliceous derived industries, as a setting agent in the manufacture of textiles, and as a component in cosmetics, industrial and household cleaners, and antifreeze solutions.
Hexylene glycol is also used as an intermediate for the synthesis of pharmaceuticals and agrochemicals.
On hexylene glycol manufacturing, formulation and application sites, closed processes minimize workers exposure. However, workers may be exposed during (un)loading, mixing, sampling, analysis or maintenance operations and particularly in case of batch processes. The exposure must be kept at a safe level (strictly below occupational exposure limits, when applied) and controlled by the use of appropriate risk management measures as suitable collective and personal protective equipment, good industrial hygiene practices and risk communication through appropriate training of workers.
Consumers are likely to come in contact with hexylene glycol when using a large range of various products like cleaners, air care products, paints or cosmetics. Hexylene glycol is formulated to comply with requirements of the most stringent regulations for all applicable consumer uses to ensure that final products are used safely in the conditions of use written on the packaging
Based on its physico-chemical properties, hexylene glycol is water soluble, has a low potential for volatility and bioaccumulation and is readily biodegradable. It would be expected to partition predominantly into aquatic compartment and not to adsorb on soil or sediment particles. In addition, it is not persistent.
On industrial manufacturing and application sites, effluents that may contain the substance must be treated to avoid any exposure to the environment.
For industrial, professional and consumer uses of hexylene glycol, recommendations to preserve human health are based on risk assessment, for each exposure scenario along the substance life-cycle.
Human health
For industrial uses of hexylene glycol and as recommended for the use of any chemical product, workers must be well informed and trained and must refer to the extended Safety Data Sheet (eSDS).
Where there is a risk of exposure to the substance (during (un)loading, mixing, sampling, analysis or maintenance operations), it must be controlled by handling the substance under an adequate and efficient ventilation, appropriate Personal Protective Equipment (PPE) must be worn (safety goggles, gloves, protective suit) as recommended in the eSDS. In case of exposure to vapour, wear safety glasses and a respirator with approved filter. Hygiene measures must be respected (accessible emergency equipment, well-maintained PPE, wash hands and skin following contact, do not eat, drink or smoke on the workplace).
For consumer uses, hexylene glycol is used in suitable concentrations according to appropriate regulations, to ensure safe-use of the final products, in the conditions of use written on the product packaging.
For specific products meant to be used by consumer, please contact your supplier.
Environment
All industrial aqueous releases that may contain the substance must be treated to avoid any exposure to the environment.
Emissions in the air are not expected as hexylene glycol has a low potential for volatility. Disposal, treatment or recycling of industrial waste must comply with applicable regulations to preserve the environment.