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Substance Name: Phenylacetone
RN: 103-79-7
UNII: O7IZH10V9Y
InChIKey: QCCDLTOVEPVEJK-UHFFFAOYSA-N

Note

  • Analog of propiophenone where carbonyl group is on the 2 carbon atom instead of the 1 carbon atom of the side chain.

Molecular Formula

  • C9-H10-O

Molecular Weight

  • 134.177
 

Classification Codes

Classification Code

  • Drug / Therapeutic Agent

Superlist Classification Code

  • DEA Schedule II
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Names and Synonyms

Results Name

  • Phenylacetone

Name of Substance

  • 1-Phenyl-2-propanone
  • Phenyl 2-propanone
  • Phenylacetone

Synonyms

  • 1-Phenyl-2-propanone
  • 3-Phenyl-2-propanone
  • AI3-02938
  • Benzyl methyl ketone
  • EINECS 203-144-4
  • HSDB 8385
  • Methyl benzyl ketone
  • NSC 9827
  • Phenyl-2-propanone
  • Phenylacetone
  • Phenylmethyl methyl ketone
  • UNII-O7IZH10V9Y

Systematic Names

  • 2-Propanone, 1-phenyl-
  • Phenylacetone

Superlist Names

  • Benzyl methyl ketone
  • DEA No. 8501
  • Methyl benzyl ketone
  • P2P
  • Phenyl-2-propanone
  • Phenylacetone

Registry Numbers

CAS Registry Number

  • 103-79-7

FDA UNII

  • O7IZH10V9Y

Other Registry Numbers

  • 136675-26-8
  • 823270-75-3

System Generated Number

  • 0000103797

Structure Descriptors

InChI

1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChIKey

QCCDLTOVEPVEJK-UHFFFAOYSA-N

Smiles

c1(ccccc1)CC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 540mg/kg (540mg/kg) BEHAVIORAL: ANTIPSYCHOTIC

BEHAVIORAL: ATAXIA
Journal of Pharmaceutical Sciences. Vol. 60, Pg. 799, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.50E+01 deg C   EXP
Boiling Point 216.5 deg C   EXP
log P (octanol-water) 1.44 (none)   EXP
Water Solubility 5210 mg/L 25 EST
Vapor Pressure 0.221 mm Hg 25 EST
Henry's Law Constant 4.00E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.65E-12 cm3/molecule-sec 25 EST

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