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OCTANE

n-Octane

CAS: 111-65-9

Molecular Formula: C8H18

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OCTANE - Names and Identifiers

Name n-Octane
Synonyms OCTANE
Oatane
Octane
1-Octane
N-OCTANE
n-Octane
ALKANE C8
OCTANE,N-
Alkane C(8)
Octyl hydride
Normal octane
OCTANE FRACTION
CAS 111-65-9
EINECS 203-892-1
InChI InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChIKey TVMXDCGIABBOFY-UHFFFAOYSA-N

OCTANE - Physico-chemical Properties

Molecular FormulaC8H18
Molar Mass114.23
Density0.703g/mLat 25°C(lit.)
Melting Point−57°C(lit.)
Boling Point125-127°C(lit.)
Flash Point60°F
Water Solubility0.0007 g/L (20 ºC)
Solubility ethanol: soluble(lit.)
Vapor Presure11 mm Hg ( 20 °C)
Vapor Density3.9 (vs air)
AppearanceLiquid
ColorClear colorless
OdorLike gasoline.
Exposure LimitTLV-TWA 300 ppm (~1450 mg/m3)(ACGIH and NIOSH), 500 ppm(~2420 mg/m3) (OSHA); STEL 375 ppm(~1800 mg/m3).
Merck14,6749
BRN1696875
pKa>14 (Schwarzenbach et al., 1993)
Storage ConditionStore below +30°C.
StabilityStable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with oxidizing agents.
Explosive Limit0.8-6.5%(V)
Refractive Indexn20/D 1.398(lit.)
Physical and Chemical PropertiesColorless transparent liquid. Boiling point 125.665 ° C, melting point -56.8. Relative density (20/4 ℃)0.7025, refractive index (nD20)1.3974. Miscible in acetone, benzene, chloroform and petroleum ether, soluble in ether, ethanol-soluble, insoluble in water. Flash point 13 °c.
UseIs one of the components of industrial gasoline, can also be used as a solvent and raw material for organic synthesis

OCTANE - Risk and Safety

Risk CodesR11 - 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 DescriptionS9 - Keep container in a well-ventilated place.
S16 - Keep away from sources of ignition.
S29 - Do not empty into drains.
S33 - Take precautionary measures against static discharges.
S60 - This material and its container must be disposed of as hazardous waste.
S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. 
S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.
UN IDsUN 1262 3/PG 2
WGK Germany1
RTECSRG8400000
TSCAYes
HS Code29011000
Hazard Class3
Packing GroupII
ToxicityLDLo intravenous in mouse: 428mg/kg

OCTANE - Reference Information

olfactory Threshold 1.7ppm
Henry's Law Constant4.45 at 25 °C (J?nsson et al., 1982)
LogP5.15
NIST chemical information information provided by: webbook.nist.gov (external link)
EPA chemical substance information information provided by: ofmpeb.epa.gov (external link)
Use for organic synthesis. The reference solution was analyzed by chromatography.
used as solvent and chromatographic analysis reference liquid
is one of the components of industrial gasoline, and can also be used as solvent and organic synthesis raw material
solvent. Organic Synthesis. Standard for gas chromatographic analysis.
production method octane is present in petroleum. Laboratory preparations can be synthesized from bromobutane. 68.5g(0.5mol) of bromobutane was added in portions to a flask containing 23g(1mol) of fine strip sodium metal and, if not reacted, heated slightly. After addition, the reactants were placed for 1-2H, and ethanol and water were refluxed for 3H to hydrolyze the bromobutane, separate the upper organic phase, wash with water, dry with anhydrous magnesium sulfate, the 1.23-126 °c fraction was collected by fractional distillation to give 15g of N-octane.
category flammable liquid
toxicity grade low toxicity
Acute toxicity inhalation-rat LC50: 118000 mg/m3/4 h
explosive hazard characteristics explosive when mixed with air
flammability hazard characteristics flammability; Combustion stimulus smoke
storage and transportation characteristics low temperature ventilation and drying of the warehouse; Anti-Flame; Spark; Friction; separate from oxidant
extinguishing agent dry powder, foam, carbon dioxide, dry powder
Occupational Standard TWA 1450 mg/m3; Tel 1750 mg/m3
spontaneous combustion temperature 428 ° F.
toxic substance data information provided by: pubchem.ncbi.nlm.nih.gov (external link)
immediate life-and health-threatening concentrations 1,000 ppm [10% LEL]
Last Update:2024-04-10 22:29:15
OCTANE
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OCTANE
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