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Substance Name: 3-Hexenyl isovalerate, (3Z)-
RN: 35154-45-1
UNII: L9KN8775G8
InChIKey: AIQLNKITFBJPFO-WAYWQWQTSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C11-H20-O2

Molecular Weight

  • 184.277
 
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Names and Synonyms

Name of Substance

  • 3-Hexenyl isovalerate, (3Z)-

Synonyms

  • (Z)-3-Hexen-1-yl isovalerate
  • (Z)-3-Hexenyl 3-methylbutyrate
  • (Z)-3-Hexenyl isovalerate
  • (Z)-Hex-3-enyl 3-methylbutanoate
  • AI3-35966
  • BRN 2433447
  • Butanoic acid, 3-methyl-, 3-hexenyl ester, (Z)-
  • cis-3-Hexenyl isopentanoate
  • cis-3-Hexenyl isovalerate
  • cis-Hex-3-enyl 3-methylbutanoate
  • EINECS 252-404-3
  • UNII-L9KN8775G8

Systematic Names

  • (Z)-Hex-3-enyl isovalerate
  • Butanoic acid, 3-methyl-, (3Z)-3-hexen-1-yl ester
  • Butanoic acid, 3-methyl-, (3Z)-3-hexenyl ester
  • Butanoic acid, 3-methyl-, 3-hexenyl ester, (Z)-
  • Isovaleric acid, 3-hexenyl ester, (Z)-

Registry Numbers

CAS Registry Number

  • 35154-45-1

FDA UNII

  • L9KN8775G8

System Generated Number

  • 0035154451

Structure Descriptors

InChI

1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-

InChIKey

AIQLNKITFBJPFO-WAYWQWQTSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 4900mg/kg (4900mg/kg)   National Technical Information Service. Vol. AD-A053-884,