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Substance Name: Geranyl benzoate
RN: 94-48-4
UNII: B4M42WH83V
InChIKey: YDVXYTIIPGKIJP-NTCAYCPXSA-N

Molecular Formula

  • C17-H22-O2

Molecular Weight

  • 258.359
 
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Names and Synonyms

Results Name

  • Geranyl benzoate

Name of Substance

  • Geranyl benzoate

Synonyms

  • 2,6-Octadien-1-ol, 3,7-dimethyl-, benzoate, (E)-
  • 3-09-00-00412 (Beilstein Handbook Reference)
  • AI3-35981
  • Benzoic acid geranyl ester
  • Benzoic acid, geraniol ester
  • BRN 3119464
  • EINECS 202-337-0
  • FEMA No. 2511
  • Geraniol benzoate
  • Geranyl benzoate
  • trans-3,7-Dimethyl-2,6-octadien-1-yl benzoate
  • UNII-B4M42WH83V

Systematic Names

  • 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-benzoate, (2E)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, benzoate, (2E)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, benzoate, (E)-
  • Geranyl benzoate

Superlist Name

  • Geranyl benzoate

Registry Numbers

CAS Registry Number

  • 94-48-4

FDA UNII

  • B4M42WH83V

Other Registry Number

  • 1911638-24-8

System Generated Number

  • 0000094484

Structure Descriptors

InChI

1S/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12+

InChIKey

YDVXYTIIPGKIJP-NTCAYCPXSA-N

Smiles

c1(C(OC\C=C(\CC\C=C(\C)C)C)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 887, 1974.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 887, 1974.