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Substance Name: Phenoxyacetone
RN: 621-87-4
InChIKey: QWAVNXZAQASOML-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O2

Molecular Weight

  • 150.176
 
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Names and Synonyms

Name of Substance

  • Phenoxyacetone

Synonyms

  • 1-Phenoxy-2-propanone
  • 1-Phenoxyacetone
  • 2-Propanone, 1-phenoxy-
  • AI3-10571
  • EINECS 210-712-5
  • NSC 1876
  • Phenoxyacetone
  • Phenoxymethyl methyl ketone

Systematic Names

  • 2-Propanone, 1-phenoxy-
  • Phenoxyacetone

Registry Numbers

CAS Registry Number

  • 621-87-4

System Generated Number

  • 0000621874

Structure Descriptors

InChI

1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChIKey

QWAVNXZAQASOML-UHFFFAOYSA-N

Smiles

O=C(C)COc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation 1620mg/m3/4H (1620mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0545288,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 229.5 deg C   EXP
log P (octanol-water) 1.04 (none)   EXP
Water Solubility 9800 mg/L 25 EST
Vapor Pressure 0.080 mm Hg 25 EST
Henry's Law Constant 1.52E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.59E-11 cm3/molecule-sec 25 EST

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