2,6-Dimethyl-4-Heptanone

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Properties Simple | Detailed

Formula C9H18O
IUPAC Name 2,6-dimethylheptan-4-one
Molecular Mass 142.239 g·mol−1
Heat of Formation -353.7 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 215.76 Å 3
Surface Area 203.79 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 4.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-dimethyl-4-heptanone (natural)
  • 2,6-dimethyl-heptan-4-on
  • 2,6-dimethyl-heptan-4-on [dutch, german]
  • 2,6-dimethyl-heptan-4-on [dutch,german]
  • 2,6-dimethylheptanone
  • 2,6-dimetil-eptan-4-one
  • 4-heptanone, 2,6-dimethyl-
  • 4-heptanone,2,6-dimethyl diisobutyl,ketone
  • c9-ketones
  • caswell no. 355b
  • di-isobutylcetone
  • dibk
  • diisobutilchetone
  • diisobutyl ketone
  • diisobutyl ketone [un1157] [flammable liquid]
  • diisobutylketon
  • diisobutylketon [dutch, german]
  • diisobutylketone
  • heptanone, 2,6-dimethyl-, 4-
  • isobutyl ketone
  • isovalerone
  • ketones, c9-branched
  • s-diisopropylacetone
  • sec-diisopropyl acetone
  • sym-diisopropylacetone
CAS Number(s)
  • 108-83-8
  • 68514-40-9
InChIKey PTTPXKJBFFKCEK-UHFFFAOYSA-N
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