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Substance Name: n-Octane
RN: 111-65-9
UNII: X1RV0B2FJV
InChIKey: TVMXDCGIABBOFY-UHFFFAOYSA-N

Classification Codes

  • TWA (300 ppm)
  • TWA 500 ppm (2350 mg/m3)

Molecular Formula

  • C8-H18

Molecular Weight

  • 114.23
 

Names and Synonyms

Name of Substance

  • n-Octane
  • Octane

Synonyms

  • AI3-28789
  • EC 203-892-1
  • EINECS 203-892-1
  • HSDB 108
  • n-Octane
  • NSC 9822
  • Octane
  • Oktan
  • Oktan [Polish]
  • Oktanen
  • Oktanen [Dutch]
  • Ottani
  • Ottani [Italian]
  • UNII-X1RV0B2FJV

Systematic Name

  • Octane

Superlist Names

  • Octane
  • Octane, all isomers

Registry Numbers

CAS Registry Number

  • 111-65-9

FDA UNII

  • X1RV0B2FJV

Other Registry Number

  • 31372-91-5

System Generated Number

  • 0000111659

Structure Descriptors

InChI

1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3

InChIKey

TVMXDCGIABBOFY-UHFFFAOYSA-N

Smiles

C(CCCC)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 428mg/kg (428mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.
rat LC50 inhalation 118gm/m3/4H (118000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 23, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.68E+01 deg C   EXP
Boiling Point 125.6 deg C   EXP
log P (octanol-water) 5.18 (none)   EXP
Water Solubility 0.66 mg/L 25 EXP
Vapor Pressure 14.1 mm Hg 25 EXP
Henry's Law Constant 3.210 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.68E-12 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.