Ethohexadiol

Basic Information

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CAS Number

94-96-2

Molecular Formula

C8H18O2

Molecular Weight

146.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-40°C

Boiling Point

244°C

Density

0.933 g/mL at 25 °C

Water Solubility

42 g/L (20 ºC)

Solubility

42g/l

Refractive Index

n20/D 1.451(lit.)

Vapor Pressure

0.0±1.1 mmHg at 25°C

SMILES

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CCCC(C(CC)CO)O

InChI

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

InChIKey

RWLALWYNXFYRGW-UHFFFAOYSA-N

LogP

1.1659

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

73.7

Safety Information

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GHS Hazard Pictograms

H318

Hazard Statement

H318 Causes serious eye damage
Serious eye damage/eye irritation

Sensitiveness

Hygroscopic

Toxicity

LD50 in male, female rats (ml/kg): 9.85, 4.92 orally (Ballantyne)

Synonyms & References

English

2-Ethylhexane-1,3-diol
Ethohexadiol
octylene glycol
2-Ethyl-1,3-hexanediol (mixture of diastereoisomers)
2-Ethyl-1,3-hexanediol
2-Ethyl-1,3-hexanediol Solution
Ethyl hexanediol (mixed isomers)
(2Ξ,3Ξ)-2-ethylhexane-1,3-diol
Rutgers 612
Ethylhexylene glycol
2-Ethyl-1,3-hexanediol (ACI)
2-Ethyl-1,3-dihydroxyhexane
2-Ethyl-1,3-hexylene glycol
2-Ethyl-3-propyl-1,3-propanediol
2-Ethylhexanediol
3-Hydroxymethyl-n-heptan-4-ol
6-12
Diol-Kyowa 8
NSC 3881
Octylene glycol
Repellent 612
E0119
ETHOHEXADIOL [MI]
94-96-2
ENT 375
CHEBI:34273
Tox21_303253
Caswell No. 445
Tox21_111152
WLN: QY3&Y2&1Q
M9JGK7U88V

MDL Number

MFCD00004578

Customs Code

29053980

FAQ

What is Ethohexadiol (CAS: 94-96-2)?

Ethohexadiol (CAS: 94-96-2) is a colorless to pale yellow liquid with a mild odor. Its chemical formula is C8H18O2. It is used as a solvent, emollient, and in the production of fatty alcohols and aliphatic amines.

What are the main uses of Ethohexadiol (CAS: 94-96-2)?

Ethohexadiol is primarily used as a solvent in the synthesis of fatty alcohols and aliphatic amines. It is also utilized in the production of surfactants, cosmetics, and as an emollient in skin care products.

Is Ethohexadiol (CAS: 94-96-2) safe?

Ethohexadiol is generally considered safe for industrial use. However, it is important to handle it with care due to its low flash point. It is classified as slightly toxic according to hazard categories. Proper ventilation and protective equipment are recommended during handling.

How should Ethohexadiol (CAS: 94-96-2) be stored?

Ethohexadiol should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a well-ventilated area and protected from moisture. The container should be tightly sealed to prevent evaporation and contamination. Store it at a temperature below 38°C (100°F) to maintain stability.