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Substance Name: 3-Phenylpropyl propanoate
RN: 122-74-7
UNII: C4756E9F55
InChIKey: GTNCESCYZPMXCJ-UHFFFAOYSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C12-H16-O2

Molecular Weight

  • 192.256
 
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Names and Synonyms

Name of Substance

  • 3-Phenylpropyl propanoate

Synonyms

  • 1-Propanol, 3-phenyl-, propionate
  • 3-Phenyl-1-propanol propionate
  • 3-Phenylpropyl propionate
  • 4-06-00-03201 (Beilstein Handbook Reference)
  • AI3-18535
  • Benzenepropanol, propanoate
  • BRN 3272005
  • EINECS 204-571-9
  • FEMA No. 2897
  • Hydrocinnamyl propionate
  • NSC 6032
  • Phenylpropyl propionate
  • UNII-C4756E9F55

Systematic Names

  • 1-Propanol, 3-phenyl-, propionate
  • 3-Phenylpropyl propionate
  • Benzenepropanol, 1-propanoate
  • Benzenepropanol, propanoate

Superlist Name

  • 3-Phenylpropyl propanoate

Registry Numbers

CAS Registry Number

  • 122-74-7

FDA UNII

  • C4756E9F55

System Generated Number

  • 0000122747

Structure Descriptors

InChI

1S/C12H16O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3

InChIKey

GTNCESCYZPMXCJ-UHFFFAOYSA-N

Smiles

c1(CCCOC(CC)=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. 809, 1982.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 809, 1982.