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2-Ethyl-1,3-hexanediol

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2-Ethyl-1,3-hexanediol Basic information
Product Name:2-Ethyl-1,3-hexanediol
Synonyms:OCTYLENE GLYCOL(R);RUTGERS 612(R);2-ethyl-1,3-hexyleneglycol;2-Ethyl-2-propyl-1,3-propanediol;ETHOHEXADIOL;ETHOHEXADIOL(R);ETHOHEXADIOL(TM);2-Ethyl hexanediol
CAS:94-96-2
MF:C8H18O2
MW:146.23
EINECS:202-377-9
Product Categories:Building Blocks;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds;Polyols
Mol File:94-96-2.mol
2-Ethyl-1,3-hexanediol Structure
2-Ethyl-1,3-hexanediol Chemical Properties
Melting point -40 °C (lit.)
Boiling point 241-249 °C (lit.)
density 0.933 g/mL at 25 °C (lit.)
vapor density 5 (vs air)
vapor pressure <0.01 hPa (20 °C)
refractive index n20/D 1.451(lit.)
Fp 265 °F
storage temp. Store below +30°C.
solubility 42g/l
pka14.85±0.10(Predicted)
form Liquid
color Clear
Odorat 100.00?%. odorless
Water Solubility 42 g/L (20 ºC)
Sensitive Hygroscopic
Merck 14,3744
BRN 1735324
Dielectric constant15.24
Cosmetics Ingredients FunctionsSOLVENT
Cosmetic Ingredient Review (CIR)2-Ethyl-1,3-hexanediol (94-96-2)
InChI1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3
InChIKeyRWLALWYNXFYRGW-UHFFFAOYSA-N
SMILESCCCC(O)C(CC)CO
LogP3.63 at 20℃
CAS DataBase Reference94-96-2(CAS DataBase Reference)
NIST Chemistry Reference1,3-Hexanediol, 2-ethyl-(94-96-2)
EPA Substance Registry System2-Ethyl-1,3-hexanediol (94-96-2)
Safety Information
Hazard Codes Xi
Risk Statements 41
Safety Statements 25-26-39-46
WGK Germany 1
RTECS MO2625000
Autoignition Temperature340 °C DIN 51794
TSCA TSCA listed
HS Code 29053980
Storage Class10 - Combustible liquids
Hazard ClassificationsEye Dam. 1
Hazardous Substances Data94-96-2(Hazardous Substances Data)
ToxicityLD50 in male, female rats (ml/kg): 9.85, 4.92 orally (Ballantyne)
MSDS Information
ProviderLanguage
2-Ethyl-1,3-hexanediol English
SigmaAldrich English
ACROS English
ALFA English
2-Ethyl-1,3-hexanediol Usage And Synthesis
Chemical Properties2-Ethyl-1,3-hexanediol is an oily, colorless, slightly viscous liquid, that is soluble in alcohol and ether but poorly soluble in water (4.2% at 20°C).
Chemical Propertiesclear liquid
UsesInsect repellent, cosmetics, vehicle and solvent in printing inks, medicine, chelating agent for boric acid. It also fifinds use as solvent for low residual flflux in soft solder paste.
Uses2-Ethyl-1,3-hexanediol (EHD) can be used as:
  • A boron extractant.
  • A reactive solvent in the synthesis of magnetic iron-oxide nanoparticles by non-hydrolytic sol-gel method.
  • A starting material in the selective synthesis of 2-ethyl-1-hydroxy-3-hexanone by oxidation using H2O2.

Uses2-Ethyl-1,3-hexanediol is produced commercially by hydrogenating butyraldol (2-ethyl-3-hydroxycaproaldehyde). It is used largely as an insect repellent but also as a solvent for resins and inks, a plasticizer, and a chemical intermediate in the production of polyurethane resins .
IndicationsEthyl hexanediol will not irritate human skin but can cause a chemical conjunctivitis. It is a standard repellent for chiggers, mosquitoes, black flies, and other biting flies and is more useful when combined with dimethyl phthalate and indalone. The mixture of these three chemicals will repel ticks and flies when it is applied to clothing.
DefinitionChEBI: 2-Ethyl-1,3-hexanediol is an aliphatic alcohol.
Synthesis Reference(s)Journal of the American Chemical Society, 75, p. 1084, 1953 DOI: 10.1021/ja01101a022
Flammability and ExplosibilityNon flammable
Safety ProfileModerately toxic by ingestion and skin contact. Experimental teratogenic and reproductive effects. A skin and severe eye irritant. Used as an insecticide, insect repellent, and in hair care preparations. Combustible when exposed to heat or flame; can react with oxidzing materials. To fight fire, use alcohol foam, foam, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
Toxics Screening LevelThe initial threshold screening level (ITSL) for 2-ethyl-1,3-hexanediol (EHD) is 30 μg/m3 based on an annual averaging time.
2-Ethyl-1,3-hexanediol Preparation Products And Raw materials
Raw materialsButyraldehyde
Tag:2-Ethyl-1,3-hexanediol(94-96-2) Related Product Information
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