94-96-2

Name 2-Ethyl-1,3-hexanediol
CAS 94-96-2
EINECS(EC#) 202-377-9
Molecular Formula C8H18O2
MDL Number MFCD00004578
Molecular Weight 146.23
MOL File 94-96-2.mol

Chemical Properties

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 Data

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 Products

Hazard Information

Material Safety Data Sheet(MSDS)

Supplier