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Substance Name: 3-Hexenyl phenylacetate, (3Z)-
RN: 42436-07-7
UNII: 8XZ0MZ4575
InChIKey: FJKFIIYSBXHBCT-ARJAWSKDSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C14-H18-O2

Molecular Weight

  • 218.294
 
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Names and Synonyms

Name of Substance

  • 3-Hexenyl phenylacetate, (3Z)-

Synonyms

  • 1-09-00-00174 (Beilstein Handbook Reference)
  • 3-Hexenyl alpha-toluate
  • 3-Hexenyl benzeneacetate, (Z)-
  • 3-Hexenyl benzeneacetate, cis-
  • 3-Hexenyl phenylacetate, (Z)-
  • Benzeneacetic acid, 3-hexenyl ester, (Z)-
  • beta,gamma-Hexenyl alpha-toluate
  • BRN 3266406
  • cis-3-Hexenyl phenylacetate
  • EINECS 255-826-6
  • FEMA No. 3633
  • UNII-8XZ0MZ4575
  • Z-3-Hexenyl phenylacetate

Systematic Names

  • (Z)-Hex-3-enyl phenylacetate
  • Benzeneacetic acid, (3Z)-3-hexen-1-yl ester
  • Benzeneacetic acid, (3Z)-3-hexenyl ester
  • Benzeneacetic acid, 3-hexenyl ester, (Z)-

Superlist Name

  • 3-Hexenyl phenylacetate, cis-

Registry Numbers

CAS Registry Number

  • 42436-07-7

FDA UNII

  • 8XZ0MZ4575

System Generated Number

  • 0042436077

Structure Descriptors

InChI

1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-

InChIKey

FJKFIIYSBXHBCT-ARJAWSKDSA-N

Smiles

c1cc(CC(OCC\C=C/CC)=O)ccc1

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. 803, 1979.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 803, 1979.