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Substance Name: Isopentane
RN: 78-78-4
UNII: ZH67814I0O
InChIKey: QWTDNUCVQCZILF-UHFFFAOYSA-N

Classification Code

  • TWA (600 ppm)

Molecular Formula

  • C5-H12

Molecular Weight

  • 72.1498
 

Names and Synonyms

Name of Substance

  • 2-Methylbutane
  • Butane, 2-methyl-
  • Isopentane

Synonyms

  • 1,1,2-Trimethylethane
  • 2-Methylbutane
  • AI3-28787
  • Butane, 2-methyl-
  • Dimethylethylmethane
  • EC 201-142-8
  • EINECS 201-142-8
  • Ethyldimethylmethane
  • HSDB 618
  • Isoamylhydride
  • Isopentane
  • NSC 119476
  • UNII-ZH67814I0O

Systematic Names

  • 2-Methylbutane
  • Butane, 2-methyl-

Superlist Names

  • Butane, 2-methyl-
  • Isopentane
  • Pentane, all isomers

Registry Numbers

CAS Registry Number

  • 78-78-4

FDA UNII

  • ZH67814I0O

Other Registry Numbers

  • 1326305-74-1
  • 68923-44-4
  • 92046-46-3

System Generated Number

  • 0000078784

Structure Descriptors

InChI

1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3

InChIKey

QWTDNUCVQCZILF-UHFFFAOYSA-N

Smiles

C(CC)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 419gm/m3/2H (419000mg/m3) BEHAVIORAL: EXCITEMENT Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 74, 1936.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.60E+02 deg C   EXP
Boiling Point 27.8 deg C   EXP
log P (octanol-water) 2.720 (none)   EST
Water Solubility 48 mg/L 25 EXP
Vapor Pressure 689 mm Hg 25 EXP
Henry's Law Constant 1.400 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.90E-12 cm3/molecule-sec 25 EXP

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