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Substance Name: Phenyl ethyl ketone
RN: 93-55-0
UNII: E599A8OKQH
InChIKey: KRIOVPPHQSLHCZ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H10-O

Molecular Weight

  • 134.177
 
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Names and Synonyms

Name of Substance

  • Phenyl ethyl ketone

Synonyms

  • 1-Phenyl-1-propanone
  • 1-Propanone, 1-phenyl-
  • 4-07-00-00680 (Beilstein Handbook Reference)
  • AI3-00951
  • BRN 0606215
  • EC 202-257-6
  • EINECS 202-257-6
  • Ethyl phenyl ketone
  • FEMA No. 3469
  • HSDB 1177
  • Ketone, ethyl phenyl
  • NSC 16937
  • Phenetol
  • Phenyl ethyl ketone
  • Propionylbenzene
  • Propiophenone
  • UNII-E599A8OKQH
  • USAF EK-1235

Systematic Names

  • 1-Propanone, 1-phenyl-
  • Propiophenone

Superlist Name

  • Propiophenone

Registry Numbers

CAS Registry Number

  • 93-55-0

FDA UNII

  • E599A8OKQH

System Generated Number

  • 0000093550

Structure Descriptors

InChI

1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

KRIOVPPHQSLHCZ-UHFFFAOYSA-N

Smiles

CCC(=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 subcutaneous 2250mg/kg (2250mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 559, 1955.
rabbit LD50 skin 4490uL/kg (4.49mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 oral 4490uL/kg (4.49mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 18.6 deg C   EXP
Boiling Point 217.5 deg C   EXP
log P (octanol-water) 2.19 (none)   EXP
Water Solubility 2000 mg/L 20 EXP
Vapor Pressure 0.17 mm Hg 25 EXP
Henry's Law Constant 1.50E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.01E-12 cm3/molecule-sec 25 EST

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