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1-Octanol Structure

1-Octanol

  • Product Name1-Octanol
  • CAS111-87-5
  • CBNumberCB4157940
  • MFC8H18O
    Lewis structure
  • MW130.23
  • EINECS203-917-6
  • MDL NumberMFCD00002988
  • MOL File111-87-5.mol
  • MSDS FileSDS

Chemical Properties

Melting point −15 °C(lit.)
Boiling point 196 °C(lit.)
Density  0.827 g/mL at 25 °C(lit.)
vapor density  4.5 (vs air)
vapor pressure  0.14 mm Hg ( 25 °C)
refractive index  n20/D 1.429(lit.)
FEMA  2800 | 1-OCTANOL
Flash point 178 °F
storage temp.  Store below +30°C.
solubility  water: partially soluble107g/L at 23°C
pka 15.27±0.10(Predicted)
form  liquid
color  APHA: ≤10
Relative polarity 0.537
Odor Alcohol like
Odor Threshold 0.0027ppm
explosive limit 0.8%(V)
Odor Type waxy
Evaporation Rate 0.007
Viscosity 5.58mm2/s
Water Solubility  insoluble
λmax λ: 215 nm Amax: 1.00
λ: 225 nm Amax: 0.50
λ: 235 nm Amax: 0.20
λ: 250 nm Amax: 0.05
λ: 300-400 nm Amax: 0.01
JECFA Number 97
Merck  14,6751
BRN  1697461
Dielectric constant 10.3(20℃)
Stability Stable. Flammable. Incompatible with strong oxidizing agents.
InChIKey KBPLFHHGFOOTCA-UHFFFAOYSA-N
LogP 3.5 at 23℃
Substances Added to Food (formerly EAFUS) 1-OCTANOL
FDA 21 CFR 177.1200
CAS DataBase Reference 111-87-5(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII NV1779205D
NIST Chemistry Reference 1-Octanol(111-87-5)
EPA Substance Registry System 1-Octanol (111-87-5)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H319-H412
Precautionary statements P264-P273-P280-P305+P351+P338-P337+P313-P501
Hazard Codes  Xi
Risk Statements  36/38
Safety Statements  26-36/37-37/39
RIDADR  3082
WGK Germany  1
RTECS  RH6550000
Autoignition Temperature 523 °F
TSCA  Yes
HazardClass  9
PackingGroup  III
HS Code  29051680
Hazardous Substances Data 111-87-5(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 2000 mg/kg
NFPA 704:
2
1 0

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