Pinacolone

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Properties Simple | Detailed

Formula C6H12O
IUPAC Name 3,3-dimethylbutan-2-one
Molecular Mass 100.159 g·mol−1
Heat of Formation -289.0 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 148.82 Å 3
Surface Area 149.38 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 4.02 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,1,1-trimethylacetone
  • 2,2-dimethyl-3-butanone
  • 2,2-dimethylbutanone
  • 2-butanone, 3,3-dimethyl-
  • 3,3-dimethyl-2-butanone
  • 3,3-dimethylbutan-2-one, methyl t-butyl ketone, pinacolin, pinacolone, tert-butyl methyl ketone
  • 3,3-dimethylbutanone
  • alpha,alpha,alpha-trimethylacetone
  • ketone, t-butyl methyl
  • ketone, tert-butyl methyl
  • methyl t-butyl ketone
  • methyl tert-butyl ketone
  • methyltert-butyl ketone
  • pinacolin
  • pinacoline
  • pinakolin
  • t-butyl methyl ketone
  • tert-butyl methyl ketone
CAS Number(s)
  • 75-97-8
InChIKey PJGSXYOJTGTZAV-UHFFFAOYSA-N
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Elements H C O