Benzoylacetone

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Properties Simple | Detailed

Formula C10H10O2
IUPAC Name 1-phenylbutane-1,3-dione
Molecular Mass 162.185 g·mol−1
Heat of Formation -250.5 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 201.76 Å 3
Surface Area 199.71 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • .alpha.-acetylacetophenone
  • 1,3-butanedione, 1-phenyl-
  • 1,3-butanedione,1-phenyl benzoylacetone
  • 1-benzoyl-2-propanone
  • 1-benzoylacetone
  • 1-phenyl-1,3-butanedion
  • 1-phenyl-1,3-butanedione
  • 2-acetylacetophenone
  • 2-propanone, benzoyl-
  • acetylbenzoylmethane
  • alpha-acetylacetophenone
CAS Number(s)
  • 93-91-4
InChIKey CVBUKMMMRLOKQR-UHFFFAOYSA-N
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