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n-Octane Structure

n-Octane

Chemical Properties

Melting point −57 °C(lit.)
Boiling point 125-127 °C(lit.)
Density  0.703 g/mL at 25 °C(lit.)
vapor density  3.9 (vs air)
vapor pressure  11 mm Hg ( 20 °C)
refractive index  n20/D 1.398(lit.)
Flash point 60 °F
storage temp.  Store below +30°C.
solubility  ethanol: soluble(lit.)
form  Liquid
pka >14 (Schwarzenbach et al., 1993)
color  Clear colorless
Odor Like gasoline.
Odor Threshold 1.7ppm
explosive limit 0.8-6.5%(V)
Water Solubility  0.0007 g/L (20 ºC)
Thermal Conductivity 0.1244 W/(m·K) at 25 ℃
Specific Heat Capacity Cp(liquid): 2.23 J/(g·K), at 25℃
Merck  14,6749
BRN  1696875
Henry's Law Constant 4.45 at 25 °C (Jnsson et al., 1982)
Dielectric constant 1.1(-4℃)
Exposure limits ACGIH:TLV-TWA 300 ppm (1401 mg/m3)
OSHA:PEL-TWA 500 ppm (2350 mg/m3)
NIOSH:REL-TWA 75 ppm; REL-Ceiling 385 ppm [15-min]
Stability Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with oxidizing agents.
Cosmetics Ingredients Functions SOLVENT
InChI 1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChIKey TVMXDCGIABBOFY-UHFFFAOYSA-N
SMILES CCCCCCCC
LogP 5.15
Surface tension 21.1mN/m at 298.15K
CAS DataBase Reference 111-65-9(CAS DataBase Reference)
NIST Chemistry Reference Octane(111-65-9)
EPA Substance Registry System Octane (111-65-9)

Safety Information

Hazard Codes  F,Xn,N
Risk Statements  11-38-50/53-65-67
Safety Statements  9-16-29-33-60-61-62
OEB A
OEL TWA: 75 ppm (350 mg/m3), Ceiling: 385 ppm (1800 mg/m3) [15-minute]
RIDADR  UN 1262
WGK Germany  1
RTECS  RG8400000
Autoignition Temperature 428 °F
TSCA  TSCA listed
HazardClass  3
PackingGroup  II
HS Code  29011000
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Asp. Tox. 1
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3
Hazardous Substances Data 111-65-9(Hazardous Substances Data)
Toxicity LDLo intravenous in mouse: 428mg/kg
IDLA 1,000 ppm [10% LEL]

MSDS

Usage And Synthesis

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