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Substance Name: 3-Hexenyl propionate, (3Z)-
RN: 33467-74-2
UNII: Q6QY6N22M3
InChIKey: LGTLDEUQCOJGFP-WAYWQWQTSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H16-O2

Molecular Weight

  • 156.223
 
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Names and Synonyms

Name of Substance

  • 3-Hexenyl propionate, (3Z)-

Synonyms

  • (Z)-3-Hexenyl propionate
  • 3-Hexen-1-ol, propanoate, (Z)-
  • 3-Hexen-1-ol, propionate, (Z)-
  • 3-Hexenyl propanoate, cis-
  • AI3-35963
  • beta,gamma-Hexenyl propanoate
  • BRN 2076059
  • cis-3-Hexenyl propionate
  • cis-3-Hexenyl propionate (natural)
  • cis-beta-Hexenyl propionate
  • EINECS 251-533-2
  • FEMA No. 3778
  • UNII-Q6QY6N22M3

Systematic Names

  • (Z)-Hex-3-enyl propionate
  • 3-Hexen-1-ol, 1-propanoate, (3Z)-
  • 3-Hexen-1-ol, propanoate, (3Z)-
  • 3-Hexen-1-ol, propanoate, (Z)-

Superlist Name

  • 3-Hexenyl propionate, cis-

Registry Numbers

CAS Registry Number

  • 33467-74-2

FDA UNII

  • Q6QY6N22M3

System Generated Number

  • 0033467742

Structure Descriptors

InChI

1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-

InChIKey

LGTLDEUQCOJGFP-WAYWQWQTSA-N

Smiles

C(OC(CC)=O)C\C=C/CC

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. 805, 1979.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 805, 1979.