111-27-3

Name Hexyl alcohol
CAS 111-27-3
EINECS(EC#) 203-852-3
Molecular Formula C6H14O
MDL Number MFCD00002982
Molecular Weight 102.17
MOL File 111-27-3.mol

Chemical Properties

Appearance Colourless liquid (odour recognition threshold 0.09ppm)
Melting point  -52 °C (lit.)
Boiling point  156-157 °C (lit.)
density  0.820 g/mL at 20 °C
vapor density  4.5 (vs air)
vapor pressure  1 mm Hg ( 25.6 °C)
FEMA  2567
refractive index  n20/D 1.418(lit.)
Fp  140 °F
storage temp.  no restrictions.
solubility  ethanol: soluble(lit.)
form  Liquid
pka 15.38±0.10(Predicted)
color  Clear colorless
Odor Sweet; mild.
Relative polarity 0.559
Stability: Stable. Substances to be avoided include strong acids, strong oxidizing agents. Combustible.
biological source synthetic
explosive limit 1.2-7.7%(V)
Odor Threshold 0.006ppm
Odor Type herbal
Water Solubility  6 g/L (25 ºC)
Specific Heat Capacity Cp(liquid):240.4J/(g·K),at 25℃
Thermal Conductivity 0.168 W/(m·K) at 25 ℃
JECFA Number 91
Merck  14,4697
BRN  969167
Henry's Law Constant 7.6×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant 13.3(24℃)
Cosmetics Ingredients Functions ANTIFOAMING
SOLVENT
PERFUMING
SURFACTANT - CLEANSING
SURFACTANT - HYDROTROPE
InChI 1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKey ZSIAUFGUXNUGDI-UHFFFAOYSA-N
SMILES CCCCCCO
LogP 1.8
Surface tension 24.511mN/m at 298.15K
CAS DataBase Reference 111-27-3(CAS DataBase Reference)
NIST Chemistry Reference 1-Hexanol(111-27-3)
EPA Substance Registry System 111-27-3(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Warning
Hazard statements  H226-H302+H312-H319
Precautionary statements  P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
S24/25:Avoid contact with skin and eyes .
RIDADR  UN 2282 3/PG 3
WGK Germany  1
RTECS  MQ4025000
Autoignition Temperature 559 °F
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  III
HS Code  29051900
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 3
Hazardous Substances Data 111-27-3(Hazardous Substances Data)
Toxicity
LD50 oral in rat: 720mg/kg

Hazard Information

Material Safety Data Sheet(MSDS)

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