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Substance Name: Prenyl benzoate
RN: 5205-11-8
UNII: O577ZIE86G
InChIKey: INVWRXWYYVMFQC-UHFFFAOYSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C12-H14-O2

Molecular Weight

  • 190.241
 
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Names and Synonyms

Name of Substance

  • Prenyl benzoate

Synonyms

  • 3-Methyl-2-butenyl benzoate
  • 3-Methylbut-2-enyl benzoate
  • Benzoic acid, 3-methyl-2-butenyl ester
  • BRN 2046710
  • EINECS 225-998-7
  • Prenyl benzoate
  • UNII-O577ZIE86G

Systematic Names

  • 2-Buten-1-ol, 3-methyl-, 1-benzoate
  • 2-Buten-1-ol, 3-methyl-, benzoate
  • 3-Methyl-2-butenyl benzoate

Registry Numbers

CAS Registry Number

  • 5205-11-8

FDA UNII

  • O577ZIE86G

System Generated Number

  • 0005205118

Structure Descriptors

InChI

1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3

InChIKey

INVWRXWYYVMFQC-UHFFFAOYSA-N

Smiles

c1(C(OC\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 Chemical Toxicology. Vol. 20, Pg. 819, 1982.
rat LD50 oral 4700mg/kg (4700mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 819, 1982.