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Substance Name: 3-Hexenylacetate
RN: 3681-71-8
UNII: 6INA6GC5I6
InChIKey: NPFVOOAXDOBMCE-PLNGDYQASA-N

Molecular Formula

  • C8-H14-O2

Molecular Weight

  • 142.197
 
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Names and Synonyms

Name of Substance

  • 3-Hexenylacetate

Synonyms

  • (Z)-3-Hexenyl acetate
  • 3-02-00-00287 (Beilstein Handbook Reference)
  • 3-Hexen-1-ol, acetate, (Z)-
  • 3-Hexenyl acetate, (Z)-
  • AI3-34392
  • BRN 1721854
  • cis-3-Hexen-1-yl acetate
  • cis-3-Hexen-1-yl acetate (natural)
  • cis-3-Hexenol acetate
  • cis-3-Hexenyl acetate
  • cis-3-Hexenyl ethanoate
  • EC 222-960-1
  • EINECS 222-960-1
  • FEMA No. 3171
  • UNII-6INA6GC5I6

Systematic Names

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

Superlist Name

  • 3-Hexenyl acetate, cis-

Registry Numbers

CAS Registry Number

  • 3681-71-8

FDA UNII

  • 6INA6GC5I6

Other Registry Number

  • 25152-87-8

System Generated Number

  • 0003681718

Structure Descriptors

InChI

1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-

InChIKey

NPFVOOAXDOBMCE-PLNGDYQASA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 454, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 454, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Atmospheric OH Rate Constant 7.80E-11 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.