3-OCTANOL Structure

3-OCTANOL

Chemical Properties

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)
refractive index  n20/D 1.426(lit.)
FEMA  3581 | 3-OCTANOL
FLAVIS Number 02.098 | Octan-3-ol
Flash point 150 °F
storage temp.  Store below +30°C.
form  Liquid
pka 15.44±0.20(Predicted)
color  Clear colorless
Odor strong, nutty odor
Odor Type earthy
biological source synthetic
optical activity -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)
Substances Added to Food (formerly EAFUS) 3-OCTANOL
FDA UNII 73DZ0U3U1E
EPA Substance Registry System 3-Octanol (589-98-0)
UNSPSC Code 85151701
NACRES NA.24

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H319
Precautionary statements P264-P280-P305+P351+P338-P337+P313
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
RIDADR  NA 1993 / PGIII
WGK Germany  2
RTECS  RH0855000
TSCA  TSCA listed
HS Code  2905 16 85
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Toxicity LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
NFPA 704:
2
2 0

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