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Substance Name: Hexenyl valerate, (3Z)-
RN: 35852-46-1
UNII: FLC67L4NLM
InChIKey: XPFTVTFOOTVHIA-ALCCZGGFSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C11-H20-O2

Molecular Weight

  • 184.277
 
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Names and Synonyms

Name of Substance

  • Hexenyl valerate, (3Z)-

Synonyms

  • (Z)-3-Hexenyl valerate
  • cis-3-Hexenyl pentanoate
  • cis-3-Hexenyl valerate
  • EINECS 252-761-5
  • UNII-FLC67L4NLM
  • Valeric acid, 3-hexenyl ester, (Z)-
  • Z-3-Hexenyl valerate

Systematic Names

  • (Z)-Hex-3-enyl valerate
  • Pentanoic acid, (3Z)-3-hexen-1-yl ester
  • Pentanoic acid, (3Z)-3-hexenyl ester
  • Pentanoic acid, 3-hexenyl ester, (Z)-

Registry Numbers

CAS Registry Number

  • 35852-46-1

FDA UNII

  • FLC67L4NLM

System Generated Number

  • 0035852461

Structure Descriptors

InChI

1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-

InChIKey

XPFTVTFOOTVHIA-ALCCZGGFSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo skin 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 47S, 1992.
rat LDLo oral 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 47S, 1992.