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Substance Name: Butylcinnamaldehyde, alpha-
RN: 7492-44-6
UNII: 79UB87S3JE
InChIKey: GFBCBQNBXRPRQD-JLHYYAGUSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H16-O

Molecular Weight

  • 188.2684
 
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Names and Synonyms

Name of Substance

  • Butylcinnamaldehyde, alpha-

Synonyms

  • 2-(Phenylmethylene)hexanal
  • 2-Benzylidenehexanal
  • 3-07-00-01486 (Beilstein Handbook Reference)
  • AI3-05072
  • alpha-Butyl-beta-phenylacrolein
  • alpha-Butylcinnamaldehyde
  • alpha-Butylcinnamic aldehyde
  • alpha-n-Butyl-beta-phenylacrolein
  • BRN 3241532
  • Butyl cinnamic aldehyde
  • Cinnamaldehyde, alpha-butyl-
  • EINECS 231-320-0
  • FEMA No. 2191
  • Hexanal, 2-(phenylmethylene)-
  • NSC 406674
  • UNII-79UB87S3JE

Systematic Names

  • alpha-Butylcinnamaldehyde
  • Cinnamaldehyde, alpha-butyl-
  • Hexanal, 2-(phenylmethylene)-

Superlist Name

  • alpha-Butylcinnamaldehyde

Registry Numbers

CAS Registry Number

  • 7492-44-6

FDA UNII

  • 79UB87S3JE

System Generated Number

  • 0007492446

Structure Descriptors

InChI

1S/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3/b13-10+

InChIKey

GFBCBQNBXRPRQD-JLHYYAGUSA-N

Smiles

CCCC/C(=C\c1ccccc1)/C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 657, 1980.
rat LD50 oral 4400mg/kg (4400mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 657, 1980.