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Substance Name: 1,3-Diphenyl-2-propanone
RN: 102-04-5
UNII: 9Y07G5UDKQ
InChIKey: YFKBXYGUSOXJGS-UHFFFAOYSA-N

Molecular Formula

  • C15-H14-O

Molecular Weight

  • 210.275
 
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Names and Synonyms

Name of Substance

  • 1,3-Diphenyl-2-propanone

Synonyms

  • 1,3-Diphenyl-2-propanone
  • 1,3-Diphenylacetone
  • 1,3-Diphenylpropanone
  • 2-Propanone, 1,3-diphenyl-
  • AI3-05001
  • alpha,alpha'-Diphenylacetone
  • Benzyl ketone
  • Dibenzyl ketone
  • EINECS 203-000-0
  • FEMA No. 2397
  • NSC 220312
  • UNII-9Y07G5UDKQ

Systematic Names

  • 1,3-Diphenylacetone
  • 2-Propanone, 1,3-diphenyl-

Superlist Name

  • 1,3-Diphenyl-2-propanone

Registry Numbers

CAS Registry Number

  • 102-04-5

FDA UNII

  • 9Y07G5UDKQ

System Generated Number

  • 0000102045

Structure Descriptors

InChI

1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

YFKBXYGUSOXJGS-UHFFFAOYSA-N

Smiles

c1(CC(Cc2ccccc2)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 2gm/kg (2000mg/kg) BEHAVIORAL: ATAXIA National Technical Information Service. Vol. OTS0559576,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 35 deg C   EXP
Boiling Point 331 deg C   EXP
log P (octanol-water) 3.180 (none)   EST
Water Solubility 74.4 mg/L 25 EST
Henry's Law Constant 3.23E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.11E-11 cm3/molecule-sec 25 EST

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