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Substance Name: Pentane
RN: 109-66-0
UNII: 4FEX897A91
InChIKey: OFBQJSOFQDEBGM-UHFFFAOYSA-N

Molecular Formula

  • C5-H12

Molecular Weight

  • 72.1498
 

Classification Codes

Classification Codes

  • Drug / Therapeutic Agent
  • TSCA Flag T (Subject to the Section 4 Test Rule under TSCA)

Superlist Classification Codes

  • TWA (600 ppm)
  • TWA 1000 ppm (2950 mg/m3)

Names and Synonyms

Name of Substance

  • Pentane

Synonyms

  • AI3-28785
  • Amyl hydride
  • Caswell No. 642AA
  • EC 203-692-4
  • EINECS 203-692-4
  • EPA Pesticide Chemical Code 098001
  • HSDB 109
  • n-Pentane
  • NSC 72415
  • Pentan
  • Pentan [Polish]
  • Pentane
  • Pentanen
  • Pentanen [Dutch]
  • Pentani
  • Pentani [Italian]
  • Skellysolve A
  • Tetrafume
  • Tetrakil
  • Tetraspot
  • UNII-4FEX897A91

Systematic Name

  • Pentane

Superlist Names

  • Pentane
  • Pentane, all isomers
  • Pentanes
  • Pentanes [UN1265] [Flammable liquid]
  • UN1265

Registry Numbers

CAS Registry Number

  • 109-66-0

FDA UNII

  • 4FEX897A91

Other Registry Number

  • 8031-35-4

System Generated Number

  • 0000109660

Structure Descriptors

InChI

1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3

InChIKey

OFBQJSOFQDEBGM-UHFFFAOYSA-N

Smiles

C(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 325gm/m3/2H (325000mg/m3) BEHAVIORAL: EXCITEMENT Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 74, 1936.
mouse LD50 intravenous 446mg/kg (446mg/kg)   Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.
rat LC50 inhalation 364gm/m3/4H (364000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 23, 1988.
rat LD50 oral 400mg/kg (400mg/kg)   National Technical Information Service. Vol. OTS0556690,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.30E+02 deg C   EXP
Boiling Point 36 deg C   EXP
log P (octanol-water) 3.39 (none)   EXP
Water Solubility 38 mg/L 25 EXP
Vapor Pressure 514 mm Hg 25 EXP
Henry's Law Constant 1.25 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.94E-12 cm3/molecule-sec 25 EXP

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