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Substance Name: 2-Methyl-1,4-pentadiene
RN: 763-30-4
UNII: TG8TS4U1ST
InChIKey: DRWYRROCDFQZQF-UHFFFAOYSA-N

Molecular Formula

  • C6-H10

Molecular Weight

  • 82.145
 
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Names and Synonyms

Name of Substance

  • 2-Methyl-1,4-pentadiene

Synonyms

  • 2-Methyl-1,4-pentadiene
  • 4-01-00-01020 (Beilstein Handbook Reference)
  • BRN 1697214
  • EINECS 212-109-2
  • UNII-TG8TS4U1ST

Systematic Names

  • 1,4-Pentadiene, 2-methyl-
  • 2-Methylpenta-1,4-diene

Registry Numbers

CAS Registry Number

  • 763-30-4

FDA UNII

  • TG8TS4U1ST

System Generated Number

  • 0000763304

Structure Descriptors

InChI

1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3

InChIKey

DRWYRROCDFQZQF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04793,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 56 deg C   EXP
log P (octanol-water) 3.070 (none)   EST
Water Solubility 89.7 mg/L 25 EST
Vapor Pressure 203 mm Hg 25 EST
Henry's Law Constant 0.199 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.90E-11 cm3/molecule-sec 25 EXP

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