ChemicalBook--->CAS DataBase List--->94-96-2

94-96-2

94-96-2 Structure

94-96-2 Structure
IdentificationMore
[Name]

2-Ethyl-1,3-hexanediol
[CAS]

94-96-2
[Synonyms]

2-ETHYL-1,3-HEXANDIOL
2-ETHYL-1,3-HEXANEDIOL
2-ETHYL-3-PROPYL-1,3-PROPANEDIOL
2-ETHYLHEXANE-1,3-DIOL
ETHOHEXADIOL
ETHOHEXADIOL(R)
ETHOHEXADIOL(TM)
ETHYL HEXANEDIOL
ETHYLHEXYLENE GLYCOL
OCTYLENE GLYCOL(R)
RUTGERS 612(R)
2-Ethyl hexanediol
2-ethyl-1,3-hexanediol,mixtureofisomers
2-Ethyl-1,3-hexylene glycol
2-ethyl-1,3-hexyleneglycol
2-Ethyl-2-propyl-1,3-propanediol
2-ethyl-3-hexanediol
2-Ethylhexanediol-1,3
3-Hexanediol,2-ethyl-1
3-Hydroxymethyl-4-heptanol
[EINECS(EC#)]

202-377-9
[Molecular Formula]

C8H18O2
[MDL Number]

MFCD00004578
[Molecular Weight]

146.23
[MOL File]

94-96-2.mol
Chemical PropertiesBack Directory
[Appearance]

clear liquid
[Melting point ]

-40 °C (lit.)
[Boiling point ]

241-249 °C (lit.)
[density ]

0.9422
[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
[form ]

Liquid
[pka]

14.85±0.10(Predicted)
[color ]

Clear
[Odor]

at 100.00?%. odorless
[Water Solubility ]

42 g/L (20 ºC)
[Sensitive ]

Hygroscopic
[Merck ]

3744
[BRN ]

1735324
[Henry's Law Constant]

7.2×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
[Dielectric constant]

15.24
[Cosmetics Ingredients Functions]

SOLVENT
[Cosmetic Ingredient Review (CIR)]

2-Ethyl-1,3-hexanediol (94-96-2)
[InChI]

1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3
[InChIKey]

RWLALWYNXFYRGW-UHFFFAOYSA-N
[SMILES]

CCCC(O)C(CC)CO
[LogP]

3.63 at 20℃
[CAS DataBase Reference]

94-96-2(CAS DataBase Reference)
[NIST Chemistry Reference]

1,3-Hexanediol, 2-ethyl-(94-96-2)
[EPA Substance Registry System]

94-96-2(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H318
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R41:Risk of serious damage to eyes.
[Safety Statements ]

S25:Avoid contact with eyes .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S46:If swallowed, seek medical advice immediately and show this container or label .
[WGK Germany ]

1
[RTECS ]

MO2625000
[Autoignition Temperature]

340 °C DIN 51794
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29053980
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Dam. 1
[Safety Profile]

Moderately 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.
[Hazardous Substances Data]

94-96-2(Hazardous Substances Data)
[Toxicity]

LD50 in male, female rats (ml/kg): 9.85, 4.92 orally (Ballantyne)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Butyraldehyde
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Ethyl-1,3-hexanediol(94-96-2).msds
Hazard InformationBack Directory
[Chemical Properties]

2-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 Properties]

clear liquid
[Uses]

2-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 .
[Uses]

Insect repellent, cosmetics, vehicle and solvent in printing inks, medicine, chelating agent for boric acid.
[Definition]

ChEBI: 2-Ethyl-1,3-hexanediol is an aliphatic alcohol.
[Indications]

Ethyl 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.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 75, p. 1084, 1953 DOI: 10.1021/ja01101a022
[Flammability and Explosibility]

Nonflammable
[Toxics Screening Level]

The initial threshold screening level (ITSL) for 2-ethyl-1,3-hexanediol (EHD) is 30 μg/m3 based on an annual averaging time.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Ethyl-1,3-hexanediol(94-96-2)MS
2-Ethyl-1,3-hexanediol(94-96-2)1HNMR
2-Ethyl-1,3-hexanediol(94-96-2)13CNMR
2-Ethyl-1,3-hexanediol(94-96-2)IR1
2-Ethyl-1,3-hexanediol(94-96-2)IR2
2-Ethyl-1,3-hexanediol(94-96-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Ethyl-1,3-hexanediol, mixture of isomers, 99%(94-96-2)
[Alfa Aesar]

2-Ethylhexane-1,3-diol, 97%(94-96-2)
[Sigma Aldrich]

94-96-2(sigmaaldrich)
[TCI AMERICA]

2-Ethyl-1,3-hexanediol  (mixture of diastereoisomers),>98.0%(GC)(94-96-2)
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