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Substance Name: alpha-Amyl cinnamaldehyde
RN: 122-40-7
UNII: WC51CA3418
InChIKey: HMKKIXGYKWDQSV-KAMYIIQDSA-N

Note

  • Jasmine-like odor, widely used synthetic fragrance & suspected allergen.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C14-H18-O

Molecular Weight

  • 202.2952
 
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Names and Synonyms

Name of Substance

  • 2-(Phenylmethylene)heptanal
  • 2-Pentylcinnamaldehyde
  • alpha-Amyl cinnamaldehyde
  • Amyl cinnamal
  • Heptanal, 2-(phenylmethylene)

Synonyms

  • 2-(Phenylmethylene)heptanal
  • 2-07-00-00310 (Beilstein Handbook Reference)
  • 2-Benzylideneheptanal
  • 2-Pentylcinnamaldehyde
  • AI3-00658
  • alpha-Amyl cinnamaldehyde
  • alpha-Amyl-beta-phenylacrolein
  • alpha-Amylcinnamaldehyde (natural)
  • alpha-Amylcinnamicaldehyde
  • alpha-Pentyl-beta-phenylacrolein
  • Amyl cinnamic aldehyde
  • Amylcinnamal
  • Amylcinnamaldehyde
  • Amylcinnamic acid aldehyde
  • BRN 0511292
  • CCRIS 1342
  • Cinnamaldehyde, alpha-pentyl-
  • EINECS 204-541-5
  • EINECS 215-565-0
  • FEMA No. 2061
  • Flomine
  • Heptanal, 2-(phenylmethylene)-
  • Heptanal, 2-benzylidene-
  • HSDB 8003
  • Jasminal
  • Jasminaldehyde
  • Jasmine aldehyde
  • NSC 6649
  • Pentylcinnamaldehyde
  • UNII-WC51CA3418

Systematic Names

  • 2-Benzylideneheptanal
  • alpha-Amyl cinnamaldehyde
  • Cinnamaldehyde, alpha-pentyl-
  • Heptanal, 2-(phenylmethylene)-

Superlist Names

  • 2-(Phenylmethylene)-heptanal
  • Amylcinnamaldehyde
  • Cinnamaldehyde, alpha-pentyl-

Registry Numbers

CAS Registry Number

  • 122-40-7

FDA UNII

  • WC51CA3418

System Generated Number

  • 0000122407

Structure Descriptors

InChI

1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11-

InChIKey

HMKKIXGYKWDQSV-KAMYIIQDSA-N

Smiles

c1(\C=C(\CCCCC)C=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 3730mg/kg (3730mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 80 deg C   EXP
log P (octanol-water) 4.330 (none)   EST
Atmospheric OH Rate Constant 5.35E-11 cm3/molecule-sec 25 EST

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