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Substance Name: 2-Hexenyl propionate, (2E)-
RN: 53398-80-4
UNII: F3851R4663
InChIKey: LPWKTEHEFDVAQS-VOTSOKGWSA-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

  • 2-Hexenyl propionate, (2E)-

Synonyms

  • (E)-2-Hexenyl propionate
  • 2-Hexenyl propanoate
  • AI3-35969
  • EINECS 258-513-2
  • FEMA No. 3778
  • trans-2-Hexenyl propionate
  • UNII-F3851R4663

Systematic Names

  • (E)-Hex-2-enyl propionate
  • 2-Hexen-1-ol, 1-propanoate, (2E)-
  • 2-Hexen-1-ol, propanoate, (2E)-
  • 2-Hexen-1-ol, propanoate, (E)-

Registry Numbers

CAS Registry Number

  • 53398-80-4

FDA UNII

  • F3851R4663

Other Registry Number

  • 139729-91-2

System Generated Number

  • 0053398804

Structure Descriptors

InChI

InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+

InChIKey

LPWKTEHEFDVAQS-VOTSOKGWSA-N

Smiles

CCC\C=C\COC(=O)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. 807, 1979.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 807, 1979.