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Substance Name: Heptane
RN: 142-82-5
UNII: 456148SDMJ
InChIKey: IMNFDUFMRHMDMM-UHFFFAOYSA-N

Molecular Formula

  • C7-H16

Molecular Weight

  • 100.203
 

Classification Codes

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data

Superlist Classification Codes

  • TWA (400 ppm); STEL (500 ppm)
  • TWA 500 ppm (2000 mg/m3)

Names and Synonyms

Results Name

  • Heptane

Name of Substance

  • Heptane
  • n-Heptane

Synonyms

  • AI3-28784
  • Dipropyl methane
  • Dipropylmethane
  • EC 205-563-8
  • EINECS 205-563-8
  • Eptani
  • Eptani [Italian]
  • Gettysolve-C
  • Heptan
  • Heptan [Polish]
  • Heptanen
  • Heptanen [Dutch]
  • Heptyl hydride
  • HSDB 90
  • n-Heptane
  • NSC 62784
  • Skellysolve C
  • UNII-456148SDMJ

Systematic Name

  • Heptane

Superlist Names

  • Heptane
  • Heptanes
  • Heptanes [UN1206] [Flammable liquid]
  • n-Heptane
  • UN1206

Registry Numbers

CAS Registry Number

  • 142-82-5

FDA UNII

  • 456148SDMJ

Other Registry Numbers

  • 44607-13-8
  • 8031-33-2

System Generated Number

  • 0000142825

Structure Descriptors

InChI

1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3

InChIKey

IMNFDUFMRHMDMM-UHFFFAOYSA-N

Smiles

C(CCC)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LC inhalation > 17937ppm/4H (17937ppm)   National Technical Information Service. Vol. OTS0556754,
human TCLo inhalation 1000ppm/6M (1000ppm) BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" "U.S. Bureau of Mines Report of Investigation No. 2979," Patty, F.A., and W.P. Yant, 1929Vol. 2979, Pg. -, 1929.
mouse LCLo inhalation 59gm/m3/41M (59000mg/m3) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Biochemische Zeitschrift. Vol. 115, Pg. 235, 1921.
mouse LD50 intravenous 222mg/kg (222mg/kg)   Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.
rat LC50 inhalation 103gm/m3/4H (103000mg/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 -9.06E+01 deg C   EXP
Boiling Point 98.5 deg C   EXP
log P (octanol-water) 4.66 (none)   EXP
Water Solubility 3.4 mg/L 25 EXP
Vapor Pressure 46 mm Hg 25 EXP
Henry's Law Constant 2.000 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.15E-12 cm3/molecule-sec 25 EXP

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