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111-65-9

Name N-OCTANE
CAS 111-65-9
EINECS(EC#) 203-892-1
Molecular Formula C8H18
MDL Number MFCD00009556
Molecular Weight 114.23
MOL File 111-65-9.mol

Chemical Properties

Appearance Octane is a colorless liquid with a gasoline-like odor. The odor threshold is 4 ppm and 48 ppm (New Jersey Fact Sheet).
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.)
Fp  60 °F
storage temp.  Flammables area
solubility  ethanol: soluble(lit.)
form  Liquid
pka >14 (Schwarzenbach et al., 1993)
color  Clear colorless
Odor Like gasoline.
Stability: Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with oxidizing agents.
explosive limit 0.8-6.5%(V)
Odor Threshold 1.7ppm
Water Solubility  0.0007 g/L (20 ºC)
Merck  14,6749
BRN  1696875
Henry's Law Constant 4.45 at 25 °C (J?nsson et al., 1982)
Dielectric constant 1.1(-4℃)
Exposure limits TLV-TWA 300 ppm (~1450 mg/m3) (ACGIH and NIOSH), 500 ppm (~2420 mg/m3) (OSHA); STEL 375 ppm (~1800 mg/m3).
InChIKey TVMXDCGIABBOFY-UHFFFAOYSA-N
LogP 5.15
CAS DataBase Reference 111-65-9(CAS DataBase Reference)
NIST Chemistry Reference Octane(111-65-9)
EPA Substance Registry System 111-65-9(EPA Substance)

Safety Data

Hazard Codes  F,Xn,N
Risk Statements 
R11:Highly Flammable.
R38:Irritating to the skin.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R65:Harmful: May cause lung damage if swallowed.
R67:Vapors may cause drowsiness and dizziness.
Safety Statements 
S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
RIDADR  UN 1262 3/PG 2
WGK Germany  1
RTECS  RG8400000
Autoignition Temperature 428 °F
TSCA  Yes
HazardClass  3
PackingGroup  II
HS Code  29011000
Safety Profile
Poison by intravenous route. May act as a simple asphyxiant. See also ARGON for a description of simple asphyxiants. A narcotic in high concentration. Human dermal exposure to undiluted octane for five hours resulted in blister formation but no anesthesia; exposure for one hour caused diffuse burning sensation. A very dangerous fire hazard and severe explosion hazard when exposed to heat, flame, or oxidizers. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALKANES.
Hazardous Substances Data 111-65-9(Hazardous Substances Data)
Toxicity
LDLo intravenous in mouse: 428mg/kg
IDLA 1,000 ppm [10% LEL]

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