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CAS :107-41-5
European Community (EC) Number: 203-489-0
IUPAC Name: 2-methylpentane-2,4-diol
Molecular Formula: C6H14O2
DESCRIPTION:
Hexylene glycol is an oily colorless liquid with a mild sweet odor.
Floats and mixes slowly with water.
2-methylpentane-2,4-diol is a glycol in which the two hydroxy groups are at positions 2 and 4 of 2-methylpentane (isopentane).
HEXYLENE GLYCOL (HGL) is a biodegradable, widely-used solution for many markets, include: skin and hair care, registered at Vegan Society, with Safer Choice label and Inert Registration (EPA).
Hexylene Glycol or HGL is an oxygenated solvent derived from acetone which has two alcohol functions.
HGL has a low evaporation rate and it is completely miscible with water.
Hexylene glycol is a key solvent in many markets such as coatings, construction, detergency, cosmetics & fragrances, textiles & leather.
HGL is mainly used as a solvent or coupling agent.
HGL is a potential substitute for glycol ethers.
HGL is also an effective shrinkage reduction admixture or SRA for concrete and mortar.
Hexylene Glycol (also known as HGL, 2-methyl pentane-2,4-diol, pinakon and Diolane) is a clear, colourless liquid with a characteristic odour.
HGL is fully miscible in water and has the chemical formula C6H14O2.
Hexylene glycol is a compound that appears in a large number of products that are used commercially and industrially.
Hexylene glycol is an ingredient used in skincare and cosmetic products to help improve the texture and sensory feel of the formulation.
Hexylene glycol functions as a surfactant, emulsifier, and a viscosity-reducing agent.
Hexylene glycol, also known as 2-Methyl-2,4-pentanediol, is an organic compound that can be classified as a glycol.
Glycols are a class of alcohols that contain two hydroxyl groups, which can also be called a diols. Hexylene glycol is a clear, hygroscopic liquid with a mild, sweet odor.
Hexylene glycol is most often synthetically produced.
Hexylene glycol is manufactured by the condensation of 2 molecules of acetone to produce diacetone alcohol, which is further hydrogenated to produce hexylene glycol.
This is then purified.
Hexylene glycol is used in the formulation of hair and bath products, eye and facial makeup, fragrances, personal cleanliness products, and shaving and skin care products at concentrations ranging from 0.1% – 25%.
Hexylene glycol as a surfactant helps to cleanse and moisturize the skin as well as thinning out the formulation to improve absorption, texture and allow other ingredients to work better.
CAS :107-41-5
European Community (EC) Number: 203-489-0
IUPAC Name: 2-methylpentane-2,4-diol
Molecular Formula: C6H14O2
Chemical and Physical Properties of HEXYLENE GLYCOL:
Molecular Weight: 118.17
XLogP3-AA: 0.3
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 2
Exact Mass: 118.099379685
Monoisotopic Mass: 118.099379685
Topological Polar Surface Area: 40.5 Ų
Heavy Atom Count: 8
Formal Charge: 0
Complexity: 68.9
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
Quality Level: 200
vapor density: 4.1 (vs air)
vapor pressure: 0.02 mmHg ( 20 °C)
assay: 99%
form: liquid
expl. lim.: 7.4 %
refractive index: n20/D 1.427 (lit.)
bp: 197 °C (lit.)
mp: −40 °C (lit.)
density: 0.925 g/mL at 25 °C (lit.)
Solubility in water: miscible
Vapor pressure: 0.05 mmHg (20°C)
Flash point: 98.3 °C (208.9 °F; 371.4 K)
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 0.92400 @ 25.00 °C.
Vapor Density: 4.1 ( Air = 1 )
logP (o/w): 0.004 (est)
Soluble in:
alcohol
water, 3.256e+004 mg/L @ 25 °C (est)
water, 1.00E+06 mg/L @ 25 °C (exp)
pH : 6.9 - 7 @ 10 % @ 20 - 25 °C (68 - 77 °F)
Freezing Point (Melting point/freezing point): -50 °C (-58 °F)
Boiling Point (Boiling point/boiling range): 197 - 198 °C (387 - 388 °F)
Flash point : 94 °C (201 °F)
Evaporation rate : < 1
(Butyl Acetate = 1)
Upper explosion limit : 9 %(V)
Lower explosion limit : 1.2 %(V)
Vapour pressure : 0.01 - 0.05 mmHg @ 20 °C (68 °F)
Relative vapour density : 4.1 @ 20 - 25 °C (68 - 77 °F)
(Air = 1.0)
Relative density : 0.923 @ 20 °C (68 °F)
Reference substance: (water = 1)
Density : 0.9201 - 0.924 g/cm3 @ 20 °C (68 °F)
Solubility(ies):
Water solubility : completely miscible
Partition coefficient: noctanol/water: log Pow: < 1
Auto-ignition temperature : 306 °C
Viscosity:
Viscosity, dynamic : 34 mPa.s @ 20 °C (68 °F)
Surface tension : 33.1 g/s2 at 20 C
Refractive index: 1.42729 (16.7 C)
Dipole moment: 2.1 D
Dielectric constant: 0.32 (20 C)
Heat of vaporization: 56.94 kJ/mol
Physical Description:
Hexylene glycol is an oily colorless liquid with a mild sweet odor.
Floats and mixes slowly with water.
Liquid
Colorless liquid with a mild, sweetish odor
Colourless Liquid With Characteristic Odour.
Colorless liquid with a mild, sweetish odor
HEXYLENE GLYCOL is classified as :
Emulsifying
Skin conditioning
Solvent
Surfactant
Perfuming
CAS :107-41-5
European Community (EC) Number: 203-489-0
IUPAC Name: 2-methylpentane-2,4-diol
Molecular Formula: C6H14O2
PRODUCTION OF Hexylene glycol:
Hexylene glycol is formed from the achiral reagents hydrogen and diacetone alcohol.
STORAGE AND DISTRIBUTION OF Hexylene glycol:
Hexylene Glycol is stored in bulk storage or stainless steel drums and is transported by tank truck.
Hexylene glycol is classed as non-hazardous for air, sea, and road freight but is classed as an irritant.
Hexylene glycol has a specific gravity of 0.925 and a flash point of 93 °C (closed cup).
USES OF Hexylene glycol:
The single largest user of hexylene glycol is the industrial coatings industry which uses approximately 45% of the HGL produced world-wide.
Hexylene glycol is a component in lacquers and varnishes, and is a solvent plasticiser in surface coatings.
Hexylene glycol 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.
Hexylene glycol 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.
Hexylene glycol also has a role as a wetting agent in pesticide formulations and is a solvent in the preparation of dyes.
Hexylene glycol exhibits both surfactant and emulsion-stabilizing properties.
Its relatively high viscosity and low volatility are advantageous in coatings, cleansers, cosmetics, solvents, and hydraulic fluids.
Although Hexylene glycol is an irritant at higher concentrations, Hexylene glycol is sometimes used in skin care, hair care, soap, and eye cosmetic products at concentrations ranging from 0.1% - 25%.
Hexylene glycol is biodegradable and unlikely to accumulate in the environment.
Hexylene glycol is widely used in the paint & coating industry as a component for lacquers, varnishes, printing inks and paints.
Hexylene glycol is also used in pesticide formulation, and as a component in cosmetics for fragrances, bath, hair, and soap preparations.
Laboratory uses:
In the laboratory Hexylene glycol is a common precipitant and cryoprotectant in protein crystallography.
Since hexylene glycol is compatible with polar and nonpolar molecules, Hexylene glycol competes with the solvent in a crystallography experiment causing the protein to precipitate.
Hexylene glycol is so effective in protein crystallography because its amphiphilic nature and small, flexible structure allows Hexylene glycol to bind to many different locations on a protein secondary structure including alpha helices and beta sheets.
When hexylene glycol binds to these different locations, water is removed and the protein crystals anneal, which prevents ice formation during cryocrystallography techniques.
Incorporation of hexylene glycol into solution has been known to improve the resolution of X-ray diffraction making protein structures easily identifiable.
Additionally hexylene glycol is not a strong denaturing agent and thus does not significantly alter the structure of a protein during the crystallography procedure.
Like related diols, Hexylene glycol forms borate esters.
Hexylene glycol is added to cosmetics and skincare products based on its functions as a surfactant, an emulsifier, and a viscosity-reducing agent.
Surfactant:
Surfactant is the short term for surface active agents.
Surfactants are compounds that lower the surface tension between two substances.
In skincare products, surfactants work to lift dirt, oil and fats from the skin, allowing them to be washed away.
This is possible because while one end of the surfactant molecule is attracted to water, the other end is attracted to oil.
Thus, surfactants attract the oil, dirt, and other impurities that have accumulated on your skin during the day and wash them away.
Due to these properties, hexylene glycol can be found in many different cleansers and body washes.
Emulsifier:
Hexylene glycol also functions as an emulsifier.
An emulsifier is needed for products that contain both water and oil components, for example, when oils are added to a water-based formula.
According to EFEMA, when water and oil are mixed together and vigorously shaken, a dispersion of oil droplets in water is formed.
When shaking stops, however, the two phases can start to separate.
To address this problem, an emulsifier like hexylene glycol can be added to the system, which helps the droplets remain dispersed and produces an even and stable formulation.
As an emulsifier, hexylene glycol consists of a water-loving hydrophilic head and an oil-loving hydrophobic tail.
The hydrophilic head is attracted to the water and the hydrophobic tail to the oil.
Once again, hexylene glycol reduces the surface tension by positioning itself between the oil and water, which has a stabilizing effect on the product.
Thinning:
Finally, hexylene glycol functions as a viscosity-reducing agent.
The term viscosity corresponds to the concept of “thickness”, for example, honey has a higher viscosity than water.
As a viscosity-reducing agent, hexylene glycol works to thin out heavy formulations and create a thinner, more spreadable product.
Key applications:
• Flame retardant
• Agricultural
• Pharmaceuticals
• Personal care
• Cosmetic products
Industries:
• Pharma
• Oil & Gas
• Cleaning
• Coatings & Construction
• Polymers
• Cosmetics
• Water Treatment
• Food
• Animal Nutrition
• Agrobusiness
• Lubricants
• RubberKey applications
• Flame retardant
• Agricultural
• Pharmaceuticals
• Personal care
• Cosmetic products
• Industries
• Pharma
• Oil & Gas
• Cleaning
• Coatings & Construction
• Polymers
• Cosmetics
• Water Treatment
• Food
• Animal Nutrition
• Agrobusiness
• Lubricants
• Rubber
CAS :107-41-5
European Community (EC) Number: 203-489-0
IUPAC Name: 2-methylpentane-2,4-diol
Molecular Formula: C6H14O2
SAFETY INFORMATION ABOUT HEXYLENE GLYCOL:
FIRST AID MEASURES:
General advice : Move out of dangerous area.
Show this safety data sheet to the doctor in attendance.
Do not leave the victim unattended.
If inhaled : If unconscious, place in recovery position and seek medical advice.
If symptoms persist, call a physician.
In case of skin contact : If skin irritation persists, call a physician.
If on skin, rinse well with water.
If on clothes, remove clothes.
In case of eye contact : Immediately flush eye(s) with plenty of water.
Remove contact lenses.
Protect unharmed eye.
Keep eye wide open while rinsing.
If eye irritation persists, consult a specialist.
If swallowed : Clean mouth with water and drink afterwards plenty of water.
Keep respiratory tract clear.
Do not give milk or alcoholic beverages.
Never give anything by mouth to an unconscious person.
If symptoms persist, call a physician.
Do not induce vomiting without medical advice.
FIREFIGHTING MEASURES:
Suitable extinguishing media : Carbon dioxide (CO2)
Dry chemical
Foam
Unsuitable extinguishing media: High volume water jet
Specific hazards during firefighting:
Do not allow run-off from fire fighting to enter drains or watercourses.
Hazardous combustion products: Carbon monoxide, carbon dioxide and unburned hydrocarbons (smoke).
Further information : Standard procedure for chemical fires.
Use extinguishing measures that are appropriate to local circumstances and the surrounding environment.
Special protective equipment
for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.
Use personal protective equipment.
ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures : Use personal protective equipment.
Environmental precautions : Prevent further leakage or spillage if safe to do so.
Methods and materials for containment and cleaning up: Soak up with inert absorbent material (e.g. sand, silica gel, acid binder, universal binder, sawdust).
Keep in suitable, closed containers for disposal.
HANDLING AND STORAGE
Advice on protection against
fire and explosion: Normal measures for preventive fire protection.
Advice on safe handling : Do not breathe vapours/dust.
Avoid contact with skin and eyes.
Smoking, eating and drinking should be prohibited in the application area.
Dispose of rinse water in accordance with local and national regulations.
Conditions for safe storage : Keep container tightly closed in a dry and well-ventilated place.
Electrical installations / working materials must comply with the technological safety standards.
Personal protective equipment:
Respiratory protection : General and local exhaust ventilation is recommended to maintain vapor exposures below recommended limits.
Where concentrations are above recommended limits or are unknown, appropriate respiratory protection should be worn.
Protection provided by air purifying respirators against exposure to any hazardous chemical is limited.
Use a positive pressure air supplied respirator if there is any potential for uncontrolled release, exposure levels are unknown, or any other circumstance where air purifying respirators may not provide adequate protection.
Hand protection
Remarks : The suitability for a specific workplace should be discussed with the producers of the protective gloves.
Eye protection : Eye wash bottle with pure water
Tightly fitting safety goggles
Wear face-shield and protective suit for abnormal processing problems.
Skin and body protection : Impervious clothing
Choose body protection according to the amount and concentration of the dangerous substance at the work place.
Hygiene measures : When using do not eat or drink.
When using do not smoke.
Wash hands before breaks and at the end of workday
STABILITY AND REACTIVITY
Reactivity : No dangerous reaction known under conditions of normal use.
Chemical stability : Stable under normal conditions.
Possibility of hazardous reactions : No hazards to be specially mentioned.
Conditions to avoid : Keep away from heat, flame, sparks and other ignition sources.
Incompatible materials : Strong oxidizing agents
Strong acids
Strong reducing agents:
Amines
Strong bases:
Anhydrides
Hazardous decomposition products: Carbon oxides
toxic fumes
DISPOSAL CONSIDERATIONS:
Disposal methods
Contaminated packaging : Empty remaining contents.
Dispose of as unused product.
Do not re-use empty containers
CAS :107-41-5
European Community (EC) Number: 203-489-0
IUPAC Name: 2-methylpentane-2,4-diol
Molecular Formula: C6H14O2
Synonyms of HEXYLENE GLYCOL:
MeSH Entry Terms:
2-methyl-2,4-pentanediol
2-methylpentane-2,4-diol
hexylene glycol
hexylene glycol, titanium(4+) salt
Depositor-Supplied Synonyms HelpNew Window
Hexylene glycol
2-METHYL-2,4-PENTANEDIOL
107-41-5
2-Methylpentane-2,4-diol
Diolane
2,4-Pentanediol, 2-methyl-
2,4-Dihydroxy-2-methylpentane
Isol
Pinakon
4-Methyl-2,4-pentanediol
1,1,3-Trimethyltrimethylenediol
2-Methyl pentane-2,4-diol
hexyleneglycol
2-Methyl-2,4-pentandiol
Hexylene glycol [NF]
alpha,alpha,alpha'-Trimethyltrimethylene glycol
1,3-dimethyl-3-hydroxybutanol
CHEBI:62995
1,3,3-trimethyl-1,3-propanediol
NSC-8098
MFCD00004547
Hexylene glycol (NF)
NSC 8098
DSSTox_CID_1885
DSSTox_RID_76384
DSSTox_GSID_21885
Caswell No. 574
UNII-KEH0A3F75J
CAS-107-41-5
2-Methylpentan-2,4-diol
HSDB 1126
2-Methyl-pentane-2,4-diol
(+-)-2-Methyl-2,4-pentanediol
EINECS 203-489-0
EPA Pesticide Chemical Code 068601
BRN 1098298
AI3-00919
CCRIS 9439
KEH0A3F75J
Hexylene glycol, 99%
R-(-)-2-METHYL-2,4-PENTANEDIOL
2methyl-2,4-pentanediol
2-methyl-2-4-pentanediol
EC 203-489-0
Hexylene glycol, >=99%
Hexylene glycol, 99.5%
SCHEMBL19379
1,3-Trimethyltrimethylenediol
4-01-00-02565 (Beilstein Handbook Reference)
CHEMBL2104293
DTXSID5021885
NSC8098
(?)-2-Methyl-2,4-pentanediol
HMS3264E19
1,1,3-trimethyl-1,3-propanediol
HY-B0903
Hexylene glycol, analytical standard
Tox21_201975
Tox21_302818
(+/-)-2-Methyl-2,4-pentanediol
s3588
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
FT-0605050
FT-0605756
FT-0613069
Hexylene glycol, puriss., >=99.0% (GC)
M0384
.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, PharmaGrade, USP/NF, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production
