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Substance Name: 3-Hexenyl salicylate
RN: 65405-77-8
UNII: C78Y9OR6YH
InChIKey: IEPWIPZLLIOZLU-ONEGZZNKSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H16-O3

Molecular Weight

  • 220.266
 
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Names and Synonyms

Name of Substance

  • 3-Hexenyl salicylate

Synonyms

  • Benzoic acid, 2-hydroxy-, 3-hexenyl ester, (Z)-
  • beta,gamma-cis-Hexenyl salicylate
  • cis-3-Hexenyl salicylate
  • EC 265-745-8
  • EINECS 265-745-8
  • UNII-C78Y9OR6YH

Systematic Names

  • (Z)-3-Hexenyl salicylate
  • 2-Hydroxybenzoic acid, (Z)-3-hexenyl ester
  • Benzoic acid, 2-hydroxy-, (3Z)-3-hexen-1-yl ester
  • Benzoic acid, 2-hydroxy-, (3Z)-3-hexenyl ester
  • Benzoic acid, 2-hydroxy-, 3-hexenyl ester, (Z)-
  • Salicylic acid, 3-hexen-1-yl ester

Registry Numbers

CAS Registry Number

  • 65405-77-8

FDA UNII

  • C78Y9OR6YH

System Generated Number

  • 0065405778

Structure Descriptors

InChI

1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3+

InChIKey

IEPWIPZLLIOZLU-ONEGZZNKSA-N

Smiles

O=C(OCC\C=C\CC)c1c(O)cccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 373, 1979.
rat LD50 oral 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 373, 1979.