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Substance Name: Hexyl cinnamic aldehyde
RN: 101-86-0
UNII: 7X6O37OK2I
InChIKey: GUUHFMWKWLOQMM-QINSGFPZSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C15-H20-O

Molecular Weight

  • 216.322
 
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Names and Synonyms

Name of Substance

  • Hexyl cinnamic aldehyde

Synonyms

  • 2-(Phenylmethylene)octanal
  • 2-Benzylideneoctanal
  • 2-Hexyl-3-phenyl-2-propenal
  • 2-Hexylcinnamaldehyde
  • AI3-05096
  • alpha-Hexyl-beta-phenylacrolein
  • alpha-Hexylcinnamaldehyde
  • alpha-Hexylcinnamic aldehyde
  • alpha-Hexylcinnamyl aldehyde
  • alpha-n-Hexyl-beta-phenylacrolein
  • EINECS 202-983-3
  • FEMA No. 2569
  • Hexyl cinnamic aldehyde
  • Hexyl cinnamic aldehyde (VAN)
  • NSC 406799
  • UNII-7X6O37OK2I

Systematic Names

  • alpha-Hexylcinnamaldehyde
  • Cinnamaldehyde, alpha-hexyl-
  • Octanal, 2-(phenylmethylene)-

Superlist Names

  • alpha-Hexylcinnamaldehyde
  • Cinnamaldehyde, alpha-hexyl-
  • Hexyl cinnamic aldehyde

Registry Numbers

CAS Registry Number

  • 101-86-0

FDA UNII

  • 7X6O37OK2I

System Generated Number

  • 0000101860

Structure Descriptors

InChI

1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12-

InChIKey

GUUHFMWKWLOQMM-QINSGFPZSA-N

Smiles

CCCCCC/C(=C/c1ccccc1)/C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2300mg/kg (2300mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990.
rat LD50 oral 3100mg/kg (3100mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 915, 1974.