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Substance Name: 2,4,4-Trimethyl-2-pentene
RN: 107-40-4
UNII: 548R0DU21I
InChIKey: LAAVYEUJEMRIGF-UHFFFAOYSA-N

Molecular Formula

  • C8-H16

Molecular Weight

  • 112.2144
 
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Names and Synonyms

Name of Substance

  • 2,4,4-Trimethyl-2-pentene

Synonyms

  • 2,2,4-Trimethyl-3-pentene
  • 2,4,4-Trimethylpentene-2
  • 2-Pentene, 2,4,4-trimethyl-
  • AI3-16047
  • EINECS 203-488-5
  • HSDB 5377
  • Propene, 1-tert-butyl-2-methyl-
  • UNII-548R0DU21I

Systematic Names

  • 2,4,4-Trimethylpent-2-ene
  • 2-Pentene, 2,4,4-trimethyl-

Superlist Names

  • 2,4,4-Trimethyl-2-pentene
  • 2-Pentene, 2,4,4-trimethyl-

Registry Numbers

CAS Registry Number

  • 107-40-4

FDA UNII

  • 548R0DU21I

System Generated Number

  • 0000107404

Structure Descriptors

InChI

1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3

InChIKey

LAAVYEUJEMRIGF-UHFFFAOYSA-N

Smiles

CC(=CC(C)(C)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.06E+02 deg C   EXP
Boiling Point 104.9 deg C   EXP
log P (octanol-water) 4.000 (none)   EST
Water Solubility 12.9 mg/L 25 EST
Vapor Pressure 35.9 mm Hg 25 EXP
Henry's Law Constant 0.881 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.77E-11 cm3/molecule-sec 25 EST

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