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Substance Name: 3-Phenylpropyl acetate
RN: 122-72-5
UNII: AKW166708I
InChIKey: JRJGKUTZNBZHNK-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C11-H14-O2

Molecular Weight

  • 178.23
 
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Names and Synonyms

Name of Substance

  • 3-Phenylpropyl acetate

Synonyms

  • (3-Acetoxypropyl)benzene
  • 1-Acetoxy-3-phenylpropane
  • 1-Propanol, 3-phenyl-, acetate
  • 3-Acetoxy-1-phenylpropane
  • 3-Phenyl-1-propanol, acetate
  • 3-Phenyl-1-propyl acetate
  • 3-Phenylpropyl acetate
  • 3-Phenylpropyl acetate (natural)
  • 4-06-00-03201 (Beilstein Handbook Reference)
  • AI3-18533
  • Benzenepropanol, acetate
  • BRN 0744307
  • EINECS 204-569-8
  • FEMA No. 2890
  • Hydrocinnamyl acetate
  • NSC 404453
  • Phenylpropyl acetate
  • UNII-AKW166708I

Systematic Names

  • 1-Propanol, 3-phenyl-, acetate
  • 3-Phenylpropyl acetate
  • Benzenepropanol, 1-acetate
  • Benzenepropanol, acetate

Superlist Name

  • 3-Phenylpropyl acetate

Registry Numbers

CAS Registry Number

  • 122-72-5

FDA UNII

  • AKW166708I

Other Registry Numbers

  • 1335-15-5
  • 143601-14-3

System Generated Number

  • 0000122725

Structure Descriptors

InChI

1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3

InChIKey

JRJGKUTZNBZHNK-UHFFFAOYSA-N

Smiles

c1(CCCOC(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. 965, 1974.
rat LD50 oral 4700mg/kg (4700mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 965, 1974.