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Substance Name: 3-Hexenyl hexanoate, (3Z)-
RN: 31501-11-8
UNII: UYX8RFU917
InChIKey: RGACQXBDYBCJCY-ALCCZGGFSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C12-H22-O2

Molecular Weight

  • 198.304
 
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Names and Synonyms

Name of Substance

  • 3-Hexenyl hexanoate, (3Z)-

Synonyms

  • (Z)-3-Hexenyl hexanoate
  • 3-Hexenyl hexanoate, (Z)-
  • AI3-35959
  • BRN 2326469
  • cis-3-Hexenyl caproate
  • cis-3-Hexenyl caproate (hexanoate)
  • cis-3-Hexenyl caproate (hexanoate) (natural)
  • cis-3-Hexenyl hexanoate
  • cis-3-Hexenyl hexoate
  • cis-Hexanoic acid, 3-hexenyl ester
  • EINECS 250-661-6
  • FEMA No. 3403
  • Hexanoic acid, 3-hexenyl ester, (Z)-
  • UNII-UYX8RFU917

Systematic Names

  • (Z)-Hex-3-enyl hexanoate
  • Hexanoic acid, (3Z)-3-hexen-1-yl ester
  • Hexanoic acid, (3Z)-3-hexenyl ester
  • Hexanoic acid, 3-hexenyl ester, (Z)-

Superlist Name

  • 3-Hexenyl hexanoate, cis-

Registry Numbers

CAS Registry Number

  • 31501-11-8

FDA UNII

  • UYX8RFU917

Other Registry Number

  • 82780-67-4

System Generated Number

  • 0031501118

Structure Descriptors

InChI

1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-

InChIKey

RGACQXBDYBCJCY-ALCCZGGFSA-N

Smiles

C(OCC\C=C/CC)(CCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 45S, 1992.
rat LDLo oral 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 45S, 1992.