589-98-0

Name 3-OCTANOL
CAS 589-98-0
EINECS(EC#) 209-667-4
Molecular Formula C8H18O
MDL Number MFCD00004590
Molecular Weight 130.23
MOL File 589-98-0.mol

Chemical Properties

Appearance Clear colorless liquid
Melting point  -45 °C
Boiling point  174-176 °C (lit.)
density  0.818 g/mL at 25 °C(lit.)
vapor density  ~4.5 (vs air)
vapor pressure  ~1 mm Hg ( 20 °C)
FEMA  3581
refractive index  n20/D 1.426(lit.)
Fp  150 °F
storage temp.  Store below +30°C.
form  Liquid
pka 15.44±0.20(Predicted)
color  Clear colorless
Odor strong, nutty odor
biological source synthetic
Odor Type earthy
Optical Rotation -0.267°(C=0.01 g/mL, CHCL3, 20°C, 589nm)
Water Solubility  1.5g/L at 25℃
JECFA Number 291
BRN  1719310
Henry's Law Constant 3.2×10-1 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000)
Dielectric constant 7.0300000000000002
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
InChIKey NMRPBPVERJPACX-UHFFFAOYSA-N
SMILES CCCCCC(O)CC
LogP 2.73 at 25℃
CAS DataBase Reference 589-98-0(CAS DataBase Reference)
EPA Substance Registry System 3-Octanol (589-98-0)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P264-P280-P305+P351+P338-P337+P313
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
RIDADR  NA 1993 / PGIII
WGK Germany  2
RTECS  RH0855000
TSCA  Yes
REACH Registrations Inactive
HS Code  29051690
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Safety Profile
A moderate skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Toxicity
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg

Raw materials And Preparation Products

Hazard Information

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