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Substance Name: Ethyl 2,2-dimethylhydrocinnamal
RN: 67634-15-5
UNII: 5V2FN5AA3W
InChIKey: JFTSYAALCNQOKO-UHFFFAOYSA-N

Molecular Formula

  • C13-H18-O

Molecular Weight

  • 190.284
 
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Names and Synonyms

Name of Substance

  • Ethyl 2,2-dimethylhydrocinnamal

Synonyms

  • 2,2-Dimethyl-3-(p-ethylphenyl)propanal
  • alpha,alpha-Dimethyl-4-ethylbenzenepropanal
  • alpha,alpha-Dimethyl-p-ethylphenylpropanal
  • Benzenepropanal, 2(or 4)-ethyl-alpha,alpha-dimethyl-
  • Benzenepropanal, 4-ethyl-alpha,alpha-dimethyl-
  • EINECS 266-819-2
  • Ethyl dimethylhydrocinnamaldehyde
  • Floralozone
  • UNII-5V2FN5AA3W

Systematic Names

  • 3-(p-Ethylphenyl)-2,2-dimethylpropionaldehyde
  • Benzenepropanal, 4-ethyl-alpha,alpha-dimethyl-
  • Benzenepropanal, alpha,alpha-dimethyl-4-ethyl-

Registry Numbers

CAS Registry Number

  • 67634-15-5

FDA UNII

  • 5V2FN5AA3W

System Generated Number

  • 0067634155

Structure Descriptors

InChI

InChI=1S/C13H18O/c1-4-11-5-7-12(8-6-11)9-13(2,3)10-14/h5-8,10H,4,9H2,1-3H3

InChIKey

JFTSYAALCNQOKO-UHFFFAOYSA-N

Smiles

CCc1ccc(CC(C)(C)C=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 307, 1988.
rat LDLo oral 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 307, 1988.