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Substance Name: 2,4,4-Trimethyl-1-pentene
RN: 107-39-1
UNII: N69L73ADVF
InChIKey: FXNDIJDIPNCZQJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H16

Molecular Weight

  • 112.214
 
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Names and Synonyms

Name of Substance

  • 2,4,4-Trimethyl-1-pentene
  • Diisobutylene

Synonyms

  • 1-Methyl-1-neopentylethylene
  • 1-Pentene, 2,4,4-trimethyl-
  • 2,2,4-Trimethyl-4-pentene
  • 2,4,4-Trimethyl-1-pentene
  • 4-01-00-00892 (Beilstein Handbook Reference)
  • AI3-30049
  • BRN 1098309
  • Diisobutylene
  • EINECS 203-486-4
  • HSDB 1442
  • NSC 73942
  • UNII-N69L73ADVF

Systematic Names

  • 1-Pentene, 2,4,4-trimethyl-
  • 2,4,4-Trimethylpent-1-ene

Superlist Names

  • 1-Pentene, 2,4,4-trimethyl-
  • 2,4,4-Trimethyl-1-pentene

Registry Numbers

CAS Registry Number

  • 107-39-1

FDA UNII

  • N69L73ADVF

System Generated Number

  • 0000107391

Structure Descriptors

InChI

1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3

InChIKey

FXNDIJDIPNCZQJ-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.35E+01 deg C   EXP
Boiling Point 101.4 deg C   EXP
log P (octanol-water) 4.55 (none)   EXP
Water Solubility 4.040 mg/L 25 EST
Vapor Pressure 44.7 mm Hg 25 EXP
Henry's Law Constant 0.746 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.32E-11 cm3/molecule-sec 25 EST

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