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Substance Name: 2-Heptenal
RN: 2463-63-0
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

  • 2-Heptenal

Synonyms

  • 2-Heptenal
  • 3-01-00-03002 (Beilstein Handbook Reference)
  • 3-Butylacrolein
  • AI3-36270
  • BRN 1745160
  • Butylacrolein
  • CCRIS 3505
  • EINECS 219-563-0

Systematic Name

  • 2-Heptenal

Superlist Name

  • 2-Heptenal

Registry Numbers

CAS Registry Number

  • 2463-63-0

System Generated Number

  • 0002463630

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 166 deg C   EXP
log P (octanol-water) 2.070 (none)   EST
Atmospheric OH Rate Constant 3.99E-11 cm3/molecule-sec 25 EST

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