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Substance Name: Linalyl cinnamate
RN: 78-37-5
UNII: 5E73T3S69W
InChIKey: DPFUEXLIKDHJNB-BUHFOSPRSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C19-H24-O2

Molecular Weight

  • 284.397
 
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Names and Synonyms

Results Name

  • Linalyl cinnamate

Name of Substance

  • 3,7-Dimethyl-1,6-octadien-3-yl cinnamtae

Synonyms

  • 1,5-Dimethyl-1-vinyl-4-hexen-1-yl cinnamate
  • 1,5-Dimethyl-1-vinyl-4-hexenyl cinnamate
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, cinnamate
  • 1-Ethenyl-1,5-dimethyl-4-hexenyl 3-phenyl-2-propenoate
  • 2-Propenoic acid, 3-phenyl-, 1,5-dimethyl-1-vinyl-4-hexen-1-yl ester
  • 2-Propenoic acid, 3-phenyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
  • 3,7-Dimethyl-1,6-octadien-3-yl 3-phenylpropenoate
  • 3,7-Dimethyl-1,6-octadien-3-yl beta-phenylacrylate
  • 3,7-Dimethyl-1,6-octadien-3-yl cinnamate
  • 3-Phenyl-2-propenoic acid, 1,5-dimethyl-1-vinyl-4-hexen-1-yl ester
  • 4-09-00-02010 (Beilstein Handbook Reference)
  • 4-Hexen-1-ol, 1,5-dimethyl-1-vinyl-, cinnamate
  • AI3-02451
  • BRN 3140688
  • Cinnamic acid, 1,5-dimethyl-1-vinyl-4-hexen-1-yl ester
  • Cinnamic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
  • Cinnamic acid, linalyl ester
  • EINECS 201-110-3
  • FEMA No. 2641
  • Linalyl 3-phenylpropenoate
  • Linalyl cinnamate
  • NSC 46163
  • UNII-5E73T3S69W

Systematic Names

  • 2-Propenoic acid, 3-phenyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
  • 2-Propenoic acid, 3-phenyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
  • 3-Propenoic acid, 3-phenyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
  • Cinnamic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester (8CI)
  • Cinnamic acid, linalyl ester
  • Linalyl cinnamate

Superlist Name

  • Linalyl cinnamate

Registry Numbers

CAS Registry Number

  • 78-37-5

FDA UNII

  • 5E73T3S69W

System Generated Number

  • 0000078375

Structure Descriptors

InChI

1S/C19H24O2/c1-5-19(4,15-9-10-16(2)3)21-18(20)14-13-17-11-7-6-8-12-17/h5-8,10-14H,1,9,15H2,2-4H3/b14-13+

InChIKey

DPFUEXLIKDHJNB-BUHFOSPRSA-N

Smiles

O([C@@](CC\C=C(/C)C)(C=C)C)C(\C=C\c1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 463, 1976.
rat LD50 oral 9960mg/kg (9960mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 463, 1976.