Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Neopentane
RN: 463-82-1
UNII: M863R1J0BP
InChIKey: CRSOQBOWXPBRES-UHFFFAOYSA-N

Classification Code

  • TWA (600 ppm)

Molecular Formula

  • C5-H12

Molecular Weight

  • 72.1498
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Neopentane

Synonyms

  • 1,1,1-Trimethylethane
  • 2,2-Dimethylpropane
  • 4-01-00-00333 (Beilstein Handbook Reference)
  • BRN 1730722
  • EINECS 207-343-7
  • HSDB 110
  • Neopentane
  • Propane, 2,2-dimethyl-
  • tert-Pentane
  • Tetramethylmethane
  • UNII-M863R1J0BP

Systematic Names

  • Neopentane
  • Propane, 2,2-dimethyl-

Superlist Names

  • 2,2-Dimethylpropane
  • 2,2-Dimethylpropane [UN2044] [Flammable gas]
  • Pentane, all isomers
  • Propane, 2,2-dimethyl-
  • UN2044

Registry Numbers

CAS Registry Number

  • 463-82-1

FDA UNII

  • M863R1J0BP

System Generated Number

  • 0000463821

Structure Descriptors

InChI

1S/C5H12/c1-5(2,3)4/h1-4H3

InChIKey

CRSOQBOWXPBRES-UHFFFAOYSA-N

Smiles

C(C)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 1097gm/m3/2H (1097000mg/m3) BEHAVIORAL: EXCITEMENT Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 74, 1936.
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Hindustan Antibiotics Bulletin. Vol. 10, Pg. 206, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.66E+01 deg C   EXP
Boiling Point 9.4 deg C   EXP
log P (octanol-water) 3.11 (none)   EXP
Water Solubility 33.2 mg/L 25 EXP
Vapor Pressure 1290 mm Hg 25 EXP
Henry's Law Constant 3.690 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.49E-13 cm3/molecule-sec 25 EXP

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