Isophorone

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Properties Simple | Detailed

Formula C9H14O
IUPAC Name 3,5,5-trimethylcyclohex-2-en-1-one
Molecular Mass 138.207 g·mol−1
Heat of Formation -241.3 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 192.95 Å 3
Surface Area 183.04 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • .alpha.-isophoron
  • .alpha.-isophorone
  • 1,1,3-trimethyl-3-cyclohexene-5-one
  • 2-cyclohexen-1-one, 3,5,5-trimethyl-
  • 3,5,5-trimethyl-1-cyclohex-2-enone
  • 3,5,5-trimethyl-2-cyclohexen-1-on
  • 3,5,5-trimethyl-2-cyclohexen-1-on [german, dutch]
  • 3,5,5-trimethyl-2-cyclohexen-1-one
  • 3,5,5-trimethyl-2-cyclohexene-1-one
  • 3,5,5-trimethyl-2-cyclohexenone
  • 3,5,5-trimethylcyclohex-2-enone
  • 3,5,5-trimetil-2-cicloesen-1-one
  • bb_nc-0161
  • caswell no. 506
  • epa pesticide chemical code 047401
  • isoacetophorone
  • isoforon
  • isoforone
  • isooctopherone
  • isophoron
  • izoforon
  • ls-1750
CAS Number(s)
  • 78-59-1
InChIKey HJOVHMDZYOCNQW-UHFFFAOYSA-N
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