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HEXYL GLYCOL

Hexyl Glycol (also known as HGL, 2-methyl pentane-2,4-diol, pinakon and Diolane) is a clear, colourless liquid with a characteristic odour.
Hexyl Glycol is fully miscible in water and has the chemical formula C6H14O2.
Hexyl glycol is a compound that appears in a large number of products that are used commercially and industrially.

IUPAC Name: 2-methyl-2,4-pentanediol
EC Number: 203-489-0
CAS Number: 107-41-5
Chemical Formula:C6H14O2

Other names: 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, Caswell No. 574, 2-Methyl pentane-2,4-diol, 2-Methyl-2,4-pentandiol, hexyleneglycol, HSDB 1126, UNII-KEH0A3F75J, (+-)-2-Methyl-2,4-pentanediol, NSC 8098, NSC-8098, EINECS 203-489-0, KEH0A3F75J, alpha,alpha,alpha'-Trimethyltrimethylene glycol, BRN 1098298, 1,3-dimethyl-3-hydroxybutanol, CCRIS 9439, DTXSID5021885, CHEBI:62995, AI3-00919, Hexyl Glycol [NF], 1,3,3-trimethyl-1,3-propanediol, TRACID RUBINE 5BL, DTXCID101885, EC 203-489-0, 1,1,3-trimethyl-1,3-propanediol, MPD, CAS-107-41-5, 2-Methylpentan-2,4-diol, 2-Methyl-pentane-2,4-diol, 64229-01-2, MFCD00004547, R-(-)-2-METHYL-2,4-PENTANEDIOL, 2methyl-2,4-pentanediol, SCHEMBL19379, 1,3-Trimethyltrimethylenediol, CHEMBL2104293, NSC8098, (?)-2-Methyl-2,4-pentanediol, SVTBMSDMJJWYQN-UHFFFAOYSA-N, HMS3264E19, HY-B0903, Tox21_201975, Tox21_302818, s3588, AKOS015901459, CCG-213719, WLN: QY1 & 1XQ1 & 1, NCGC00249143-01, NCGC00256494-01, NCGC00259524-01, AC-13749, AS-58339, FT-0605050, FT-0605756, FT-0613069, M0384, D04439, EN300-170052, AB01563179_01, J-640306, J-660006, Q2792203, W-108748, Z1255485267

Hexyl Glycol (MPD) is an organic compound with the formula (CH3)2C(OH)CH2CH(OH)CH3.
This colourless liquid is a chiral diol.
Hexyl Glycol is produced industrially from diacetone alcohol by hydrogenation.
Total European and USA production was 15000 tonnes in 2000.

Hexyl Glycol 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, also sold as and referred to as "Hexyl Glycol".

Hexyl Glycol exhibits both surfactant and emulsion-stabilizing properties.
Hexyl Glycol's relatively high viscosity and low volatility are advantageous in coatings, cleansers, cosmetics, solvents, lubricants, and hydraulic fluids.
Although it is an irritant at higher concentrations, it is sometimes used in skin care, hair care, soap, and eye cosmetic products at concentrations ranging from 0.1% - 25%.

Hexyl Glycol is biodegradable and unlikely to accumulate in the environment.

In the laboratory it is a common precipitant and cryoprotectant in protein crystallography.
Since Hexyl Glycol is compatible with polar and non-polar molecules, it competes with the solvent in a crystallography experiment causing the protein to precipitate.

Hexyl 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.
When Hexyl Glycol binds to these different locations, water is removed and the protein crystals anneal, which prevents ice formation during cryocrystallography techniques.

Incorporation of Hexyl Glycol into solution has been known to improve the resolution of X-ray diffraction making protein structures easily identifiable.
Additionally Hexyl Glycol is not a strong denaturing agent and thus does not significantly alter the structure of a protein during the crystallography procedure.

Hexyl Glycol is also used as a lubricant for polishing specimens in metallography.
Like related diols, it forms borate esters.
Hexyl Glycol is a clear, colorless liquid that is used in many personal care and cosmetic formulations.

Hexyl Glycol largely acts as a solvent, humectant, and viscosity agent.
Decades of research have established Hexyl Glycol as a safe and effective ingredient.
Hexyl Glycol dissolves other ingredients in a product and enhances its stability and texture.
Hexyl Glycol also has a low viscosity that makes it easier to incorporate.
The chemical formula of Hexyl Glycol is C6H14O2.

Hexyl Glycol is an oxygenated solvent derived from acetone which has two alcohol functions.
Hexyl Glycol has a low evaporation rate and it is completely miscible with water.
Hexyl Glycol is mainly used as a solvent or coupling agent.
Hexyl Glycol is a potential substitute for glycol ethers.

Hexyl Glycol is also an effective shrinkage reduction admixture or SRA for concrete and mortar. Hexyl Glycol can also be used as a building block in chemical synthesis.
Hexyl Glycol is a key solvent in many markets such as paints & coatings, metal working fluids, detergency, cosmetics & fragrances, textiles & leather.

XLogP3-AA: 0.3
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 2

Exact Mass: 118.099379685 g/mol
Monoisotopic Mass: 118.099379685 g/mol
Topological Polar Surface Area: 40.5Ų
Heavy Atom Count: 8

Complexity: 68.9
Undefined Atom Stereocenter Count: 1
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

A high boiling point, slow evaporating solvent with excellent solvency characteristics.
Hexyl Glycol has the characteristic structure of glycol ethers and contains both ether and alcohol functional groups in the same molecule.
As a result, it provides unique cleaning power for removal of both water-soluble and greasy (water insoluble) soils.

The linear hexyl portion of this provides excellent oil solubility characteristics that make it useful in both consumer and industrial cleaner applications.
It plays an important role in specialty printing inks.
Because of its limited water solubility and slow evaporation, it can be used in formulations for the silk screen process to prevent premature setting of the ink.

The combined market for Hexyl Glycol in Europe and the USA for 2000 is 15000 tonnes.
The principal end uses are in industrial coatings and as a chemical intermediate (20%).
Hexyl Glycol occurs as a component in a large number of products for industrial and consumer use.
There is a potential for occupational and consumer exposure through inhalation and skin contact.

There is potential exposure to the aquatic and soil compartments and to the atmosphere arising from the use of this substance.
Hexyl Glycol is a liquid of vapour pressure 0.07 hPa, is fully miscible with water and has Log Kow of 0.58 (calculated).
Hexyl Glycol has a calculated half-life for photo-oxidation of 9 hours and is not susceptible to hydrolysis.

There is insufficient experimental data to determine whether Hexyl Glycol is readily biodegradable, but it is considered at least inherently biodegradable.
Fugacity modelling predicts that Hexyl Glycol will partition predominantly to the aquatic compartment.
Hexyl Glycol has a low potential for sorption to soil.

Hexyl Glycol is a clear liquid with a mild, sweet odour most commonly used in cosmetics and personal care products in the formulation of hair and bath products, eye and facial makeup, fragrances, personal cleanliness products, and shaving and skin care products.
Hexyl Glycol helps to improve the texture and sensory feel of the formulation, functioning as a surfactant to cleanse and moisturize the skin, as an emulsifier and a viscosity-reducing agent to improve absorption and allow other ingredients to work better.

Hexyl Glycol is a diol (with two hydroxy groups at 2 and 4 positions), a colorless liquid with a mildly sweet odor and oily consistency.
In nature, it is found in the tobacco plant (Nicotiana tabacum).
For industrial purposes Hexyl Glycol is formed from the achiral reagents, diacetone alcohol, and hydrogen, producing equal amounts of enantiomeric products.

The largest end use for Hexyl Glycol is in industrial coatings, as a solvent plasticizer in varnishes, lacquers, paints, and paint strippers, accounting for about 45% of the total production.
Hexyl Glycol is also used as a chemical intermediate in chemical syntheses, downhole lubricant for natural gas and oil fields, hydraulic fluid, antifreeze, fuel additive, the solvent in dyes and inks, leather and textile processing, industrial and household cleaners, and in cosmetics.

Hexyl Glycol is a skin and eye irritant depending on concentration.
Hexyl Glycol is not readily absorbed through the skin.
The American Conference of Governmental Industrial Hygienists (ACGIH) set a Threshold Limit Value (TLV) of 25 ppm for Hexyl Glycol to avoid eye irritation, which has been reported in volunteer studies at 50 ppm in addition to nasal irritation and respiratory discomfort at 100 and 1000 ppm.

The ceiling concentration set by the National Institute for Occupational Safety and Health is also 25 ppm.
Consumer exposure occurs mostly from the use of cosmetics, cleaning products, antifreeze, and hydraulic fluids containing Hexyl Glycol.
Hexyl Glycol has been detected in apples undergoing the ripening process, thereby providing another source of exposure by ingestion or inhalation.

In personal care applications, Hexyl Glycol at low concentrations can be used as a solvent, humectant, viscosity-controlling agent, and preservative booster.
Hexyl Glycol is usually coupled with other ingredients like silicones and other glycols to reduce its irritation potential or classic preservatives like phenoxyethanol to enhance antimicrobial activity in very low concentrations.

Hexyl Glycol is a synthetic substance added to many cosmetics.
Hexyl Glycol is an aroma compound and has a preservative effect.
At the same time, it is also a cleaning agent and detergent.
The most important, however, is the emulsifying property of this glycol.
Hexyl Glycol is thanks to this that Hexyl Glycol has an influence on the consistency of the product.

Hexyl Glycol is famous for its excellent solvency among a wide variety of materials and is popular in skin care formulas due to its ability to improve the texture.
Hexyl Glycol has viscosity-reducing properties that allow it to thin out heavy, thick formulations and produce smooth spreadability. Studies indicate it also exhibits antimicrobial properties.

In addition to skin care, Hexyl Glycol is used in other beauty products including hair care and makeup.
Hexyl Glycol also goes by its chemical compound name: 2-Methyl-2,4-pentanediol.
As a raw material, it is a clear liquid.

Hexyl Glycol is often used in preservative blends that contain phenoxyethanol because it boosts the efficacy of this preservative, allowing lower amounts to be used, which reduces the risk skin will have a sensitised response.

Hexyl Glycol has been backed as a safe ingredient for decades with reported concentrations up to 25% in personal care products (though most skin care formulas use much lower amounts than that, especially in preservative blends).

Hexyl Glycol is used as a reagent in the synthesis of functionalized boronic esters.
Hexyl Glycol is used in laboratory studies as a precipitant and cryoprotectant in protein crystallography.
Hexyl Glycol is also used in the preparation of vinylboronates.
Hexyl Glycol is mainly used as a coupling agent and an additive to hydraulic fluids, inks and cement.

Further, Hexyl Glycol is used as a solvent for cleaning and colorant products.
Hexyl Glycol is a potential substitute for glycol ethers.
Hexyl Glycol is an effective shrinkage reduction admixture or SRA for concrete and mortar.
Hexyl Glycol can also be used as a building block in chemical synthesis.

Hexyl Glycol is a key solvent in many markets such as paints & coatings, metal working fluids, detergency, cosmetics & fragrances, textiles & leather.
Hexyl Glycol is used to control the flow properties of industrial products such as paints, coatings, cleansers, solvents, and hydraulic fluids.

Hexyl Glycol acts as a thickening agent in cosmetic products.
Hexyl Glycol is also employed as a blood volume expander.
Hexyl Glycol (MPD) is a fine chemical product with a wide range of uses, which can be used in pesticides, biochemical engineering, photosensitive materials, synthetic fragrances and other fields.

Hexyl Glycol is a highly soluble high-grade organic solvent.
Hexyl Glycol can be used as an additive in the production of metal surface treatment agents for rust and oil removal.

Hexyl Glycol can also be used as a textile auxiliaries, as well as coatings and latex paints.
Hexyl Glycol can also be used in cosmetics, as a pesticide stabilizer, but also as a daily chemical moisturizer, flavor and fragrance raw materials, hydraulic oil, high-temperature lubricating oil, brake oil, dry cleaning agent, printing ink, pigment dispersant, wood preservative etc.

Hexyl Glycol is an oily colorless liquid with a mild sweet odor. 
Hexyl Glycol is an oxygenated solvent derived from acetone which has two alcohol functions. 
Hexyl Glycol has a low evaporation rate and it is completely miscible with water.

Production Methods:
Hexyl Glycol is prepared commercially by the catalytic hydrogenation of diacetone alcohol. 
Hexyl Glycol 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.

Hexyl Glycol is used as a reagent in the synthesis of functionalized boronic esters. 
Hexyl Glycol is used in laboratory studies as a precipitant and cryoprotectant in protein crystallography.
Also Hexyl Glycol is used in the preparation of vinylboronates.
Hexyl Glycol is mainly used  as a coupling agent and an additive to hydraulic fluids, inks and cement. 
Further, Hexyl Glycol is used as a solvent for cleaning and colorant products.
Hexyl Glycol is a potential substitute for glycol ethers.

Hexyl Glycol is an effective shrinkage reduction admixture or SRA for concrete and mortar.
Hexyl Glycol can also be used as a building block in chemical synthesis.
Hexyl Glycol is a key solvent in many markets such as paints & coatings, metal working fluids, detergency, cosmetics & fragrances, textiles & leather.
Hexyl Glycol is used to control the flow properties of industrial products such as paints, coatings, cleansers, solvents, and hydraulic fluids. 

Hexyl Glycol acts as a thickening agent in cosmetic products.
Hexyl Glycol is also employed as a blood volume expander.
Hexyl 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
Hexyl Glycol serves as a coupling agent and an additive to hydraulic fluids, inks and cement. 
Further, Hexyl Glycol is used as a solvent for cleaning and colorant products. 
In addition to this, Hexyl Glycol is used in laboratory studies as a precipitant and cryoprotectant in protein crystallography.

Laboratory uses of Hexyl Glycol:
In the laboratory Hexyl Glycol is a common precipitant and cryoprotectant in protein crystallography. 
Since Hexyl Glycol is compatible with polar and nonpolar molecules, Hexyl Glycol competes with the solvent in a crystallography experiment causing the protein to precipitate.
Hexyl 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. 

When Hexyl Glycol binds to these different locations, water is removed and the protein crystals anneal, which prevents ice formation during cryocrystallography techniques. 
Incorporation of Hexyl Glycol into solution has been known to improve the resolution of X-ray diffraction making protein structures easily identifiable.

Additionally Hexyl 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, Hexyl Glycol forms borate esters.

Hexyl Glycol is used to control the flow properties of industrial products such as paints, coatings, cleansers, solvents, and hydraulic fluids.
Hexyl Glycol acts as a thickening agent in cosmetic products.
Hexyl Glycol serves as a coupling agent and an additive to hydraulic fluids, inks and cement.

Hexyl Glycol is also employed as a blood volume expander.
Further, it is used as a solvent for cleaning and colorant products.
In addition to this, it is used in laboratory studies as a precipitant and cryoprotectant in protein crystallography.

Applications of Hexyl Glycol:
Hexyl Glycol is used to control the flow properties of industrial products such as paints, coatings, cleansers, solvents, and hydraulic fluids.
Hexyl Glycol acts as a thickening agent in cosmetic products.

Hexyl Glycol serves as a coupling agent and an additive to hydraulic fluids, inks and cement.
Hexyl Glycol is also employed as a blood volume expander.
Further, it is used as a solvent for cleaning and colorant products.
In addition to this, it is used in laboratory studies as a precipitant and cryoprotectant in protein crystallography.

Solubility of Hexyl Glycol:
Miscible with water, alcohol, ether, fatty acids and lower aliphatic hydrocarbons.
Slightly miscible with carbon tetrachloride.


 

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