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Substance Name: 2,4-Pentanedione, 3-benzyl- (8CI)
RN: 1134-87-8
InChIKey: WAJQTBOWJRUOOO-UHFFFAOYSA-N

Molecular Formula

  • C12-H14-O2

Molecular Weight

  • 190.241
 
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Names and Synonyms

Synonyms

  • 3-Benzyl-2,4-pentanedione
  • AI3-18949
  • NSC 35139

Systematic Names

  • 2,4-Pentanedione, 3-(phenylmethyl)-
  • 2,4-Pentanedione, 3-benzyl- (8CI)

Registry Numbers

CAS Registry Number

  • 1134-87-8

System Generated Number

  • 0001134878

Structure Descriptors

InChI

1S/C12H14O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3

InChIKey

WAJQTBOWJRUOOO-UHFFFAOYSA-N

Smiles

C(C(=O)C)(C(=O)C)Cc1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.89 (none)   EXP
Water Solubility 1190 mg/L 25 EST
Vapor Pressure 2.03E-03 mm Hg 25 EST
Henry's Law Constant 3.57E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.00E-11 cm3/molecule-sec 25 EST

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