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Substance Name: Bourgeonal
RN: 18127-01-0
UNII: H3XVS6E70V
InChIKey: FZJUFJKVIYFBSY-UHFFFAOYSA-N

Molecular Formula

  • C13-H18-O

Molecular Weight

  • 190.284
 
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Names and Synonyms

Name of Substance

  • Bourgeonal

Synonyms

  • 3-(4-tert-butylphenyl)propanal
  • 4-(1,1-Dimethylethyl)benzenepropanal
  • Bourgeonal
  • BRN 2439407
  • EC 242-016-2
  • EINECS 242-016-2
  • p-tert-Butyldihydrocinnamaldehyde
  • p-tert-Butylhydrocinnamic aldehyde
  • UNII-H3XVS6E70V

Systematic Names

  • 3-(4-tert-Butylphenyl)propionaldehyde
  • Benzenepropanal, 4-(1,1-dimethylethyl)-

Registry Numbers

CAS Registry Number

  • 18127-01-0

FDA UNII

  • H3XVS6E70V

System Generated Number

  • 0018127010

Structure Descriptors

InChI

InChI=1S/C13H18O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-10H,4-5H2,1-3H3

InChIKey

FZJUFJKVIYFBSY-UHFFFAOYSA-N

Smiles

CC(C)(C)c1ccc(CCC=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo skin 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 287, 1988.
rat LD50 oral 2700mg/kg (2700mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 287, 1988.