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Substance Name: trans-2-Heptenal
RN: 18829-55-5
UNII: 4NJZ8GMQ6F
InChIKey: NDFKTBCGKNOHPJ-AATRIKPKSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H12-O

Molecular Weight

  • 112.1708
 
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Names and Synonyms

Name of Substance

  • trans-2-Heptenal

Synonyms

  • (E)-2-Hepten-1-al
  • 3-Butylacrolein
  • 4-01-00-03478 (Beilstein Handbook Reference)
  • beta-Butylacrolein
  • BRN 1700822
  • CCRIS 4566
  • EINECS 242-608-0
  • FEMA No. 3165
  • trans-2-Heptenal
  • UNII-4NJZ8GMQ6F

Systematic Names

  • (E)-Hept-2-enal
  • 2-Heptenal, (2E)-
  • 2-Heptenal, (E)-
  • trans-2-Heptenal

Registry Numbers

CAS Registry Number

  • 18829-55-5

FDA UNII

  • 4NJZ8GMQ6F

System Generated Number

  • 0018829555

Structure Descriptors

InChI

1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+

InChIKey

NDFKTBCGKNOHPJ-AATRIKPKSA-N

Smiles

C(\C=C\C=O)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin 1530mg/kg (1530mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 331, 1988.
rabbit LD50 skin 860mg/kg (860mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 331, 1988.
rat LD50 oral 1300mg/kg (1300mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 331, 1988.