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Substance Name: trans-1,3-Pentadiene
RN: 2004-70-8
UNII: 00OA1GPF8R
InChIKey: PMJHHCWVYXUKFD-SNAWJCMRSA-N

Molecular Formula

  • C5-H8

Molecular Weight

  • 68.1182
 
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Names and Synonyms

Name of Substance

  • trans-1,3-Pentadiene

Synonyms

  • (E)-1,3-Pentadiene
  • 1,3-Pentadiene, (E)-
  • 4-01-00-00994 (Beilstein Handbook Reference)
  • BRN 1523659
  • CCRIS 8964
  • EINECS 217-909-5
  • HSDB 6139
  • NSC 73901
  • trans-1,3-Pentadiene
  • trans-1-Methylbutadiene
  • trans-Piperylene
  • UNII-00OA1GPF8R

Systematic Names

  • 1,3-Pentadiene, (3E)-
  • 1,3-Pentadiene, (E)-
  • trans-Penta-1,3-diene

Registry Numbers

CAS Registry Number

  • 2004-70-8

FDA UNII

  • 00OA1GPF8R

System Generated Number

  • 0002004708

Structure Descriptors

InChI

1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+

InChIKey

PMJHHCWVYXUKFD-SNAWJCMRSA-N

Smiles

C(\C=C)=C\C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04179,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.74E+01 deg C   EXP
Boiling Point 42 deg C   EXP
log P (octanol-water) 2.44 (none)   EXP
Water Solubility 326 mg/L 25 EST
Vapor Pressure 411 mm Hg 25 EXP
Henry's Law Constant 0.122 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.05E-10 cm3/molecule-sec 25 EST

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