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Substance Name: 1-Phenyl-1,2-propanedione
RN: 579-07-7
UNII: ZB5XA3GD0I
InChIKey: BVQVLAIMHVDZEL-UHFFFAOYSA-N

Note

  • An oxoglutarate carrier antagonist.

Molecular Formula

  • C9-H8-O2

Molecular Weight

  • 148.16
 
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Names and Synonyms

Name of Substance

  • 1-Phenyl-1,2-propanedione

Synonyms

  • 1,2-Propanedione, 1-phenyl-
  • 1-Phenyl-1,2-propanedione
  • 3-Phenyl-2,3-propanedione
  • Acetyl benzoyl
  • Acetylbenzoyl
  • AI3-23868
  • Benzoyl methyl ketone
  • Benzoylacetyl
  • CCRIS 6297
  • EINECS 209-435-2
  • FEMA No. 3226
  • Methyl phenyl diketone
  • Methyl phenyl glyoxal
  • Methylphenylglyoxal
  • NSC 7643
  • Phenyl methyl diketone
  • Phenylmethyldiketone
  • UNII-ZB5XA3GD0I

Systematic Names

  • 1,2-Propanedione, 1-phenyl-
  • 1-Phenylpropane-1,2-dione

Superlist Name

  • 1-Phenyl-1,2-propanedione

Registry Numbers

CAS Registry Number

  • 579-07-7

FDA UNII

  • ZB5XA3GD0I

Other Registry Number

  • 30581-69-2

System Generated Number

  • 0000579077

Structure Descriptors

InChI

1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3

InChIKey

BVQVLAIMHVDZEL-UHFFFAOYSA-N

Smiles

c1(C(C(C)=O)=O)ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point <20 deg C   EXP
Boiling Point 222 deg C   EXP
log P (octanol-water) 1.110 (none)   EST
Water Solubility 2600 mg/L 20 EXP
Atmospheric OH Rate Constant 1.88E-12 cm3/molecule-sec 25 EST

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