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Substance Name: Phenethyl propionate
RN: 122-70-3
UNII: 9VFI60EUHW
InChIKey: HVGZQCSMLUDISR-UHFFFAOYSA-N

Classification Codes

  • Insect Attractant, Repellent and Chemosterilant
  • Insecticide, Pheromone

Molecular Formula

  • C11-H14-O2

Molecular Weight

  • 178.2296
 
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Names and Synonyms

Name of Substance

  • Phenethyl propionate

Synonyms

  • 2-Phenethyl propionate
  • 2-Phenethylpropionate
  • 2-Phenylethyl propanoate
  • 2-Phenylethyl propionate
  • 3-06-00-01709 (Beilstein Handbook Reference)
  • AI3-18544
  • Benzylcarbinyl propionate
  • BRN 2097455
  • Caswell No. 655D
  • EcoPCO ACU
  • EINECS 204-567-7
  • ENT 18544
  • EPA Pesticide Chemical Code 102601
  • FEMA No. 2867
  • HSDB 7428
  • Japanese Beetle Bait
  • NSC 404457
  • NSC-404457
  • Phenethyl alcohol, propionate
  • Phenethyl popanoate
  • Phenethyl propionate
  • Phenethyl propionate (natural)
  • Phenylethyl propionate
  • UNII-9VFI60EUHW

Systematic Names

  • Phenethyl propionate
  • Propanoic acid, 2-phenylethyl ester
  • Propionic acid, phenethyl ester

Superlist Names

  • 2-Phenylethyl propionate
  • Phenethyl propionate

Registry Numbers

CAS Registry Number

  • 122-70-3

FDA UNII

  • 9VFI60EUHW

System Generated Number

  • 0000122703

Structure Descriptors

InChI

1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

InChIKey

HVGZQCSMLUDISR-UHFFFAOYSA-N

Smiles

c1(CCOC(=O)CC)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. 963, 1974.
rat LD50 oral 4gm/kg (4000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 963, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 238 deg C   EXP
log P (octanol-water) 3.060 (none)   EST

Physical property data is provided to ChemIDplus by SRC, Inc.