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Substance Name: Acetic acid, cinnamyl ester
RN: 103-54-8
InChIKey: WJSDHUCWMSHDCR-VMPITWQZSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C11-H12-O2

Molecular Weight

  • 176.2138
 
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Names and Synonyms

Name of Substance

  • 2-Propen-1-ol, 3-phenyl-, acetate
  • 3-Phenyl-2-propen-1-ol acetate
  • Acetic acid, cinnamyl ester
  • Cinnamyl acetate

Synonyms

  • 1-Acetoxy-3-phenyl-2-propene
  • 2-06-00-00527 (Beilstein Handbook Reference)
  • 2-Propen-1-ol, 3-phenyl-, acetate
  • 3-Phenyl-2-propen-1-ol acetate
  • 3-Phenyl-2-propen-1-yl acetate
  • 3-Phenyl-2-propenyl acetate
  • 3-Phenylallyl acetate
  • Acetic acid, cinnamyl ester
  • AI3-01265
  • BRN 2046000
  • Cinnamyl acetate
  • Cinnamyl alcohol, acetate
  • EINECS 203-121-9
  • gamma-Phenylallyl acetate
  • NSC 46109

Systematic Names

  • 2-Propen-1-ol, 3-phenyl-, 1-acetate
  • 2-Propen-1-ol, 3-phenyl-, acetate
  • Cinnamyl acetate
  • Cinnamyl alcohol, acetate

Superlist Name

  • Cinnamyl acetate

Registry Numbers

CAS Registry Number

  • 103-54-8

System Generated Number

  • 0000103548

Structure Descriptors

InChI

1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+

InChIKey

WJSDHUCWMSHDCR-VMPITWQZSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 4750mg/kg (4750mg/kg)   Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.
mouse LD50 intraperitoneal 1200mg/kg (1200mg/kg)   Pharmacologist. Vol. 3, Pg. 62, 1961.
mouse LD50 oral 4750mg/kg (4750mg/kg)   Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.
rat LD50 oral 3300mg/kg (3300mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 1063, 1973.