β-Ionone

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Properties Simple | Detailed

Formula C13H20O
IUPAC Name (e)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Molecular Mass 192.297 g·mol−1
Heat of Formation -234.9 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 272.17 Å 3
Surface Area 244.1 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
  • (e)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one
  • (z)-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
  • .beta.-cyclocitrylideneacetone
  • .beta.-ionene
  • .beta.-ionone
  • .beta.-ionone isomer # 1
  • .beta.-ionone isomer # 2
  • 3-buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
  • 3-buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3e)-
  • 3-buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (e)
  • 3-buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (e)-
  • 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
  • 4-(2,6,6-trimethyl-1-cyclohexen-l-yl)-3-buten-2-one
  • 4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one
  • 4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one
  • 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one
  • bb_nc-0321
  • beta-cyclocitrylideneacetone
  • ionone, .beta.-
  • ionone, beta
  • ls-871
  • trans-.beta.-ionone
CAS Number(s)
  • 35031-06-2
  • 14901-07-6
  • 79-77-6
InChIKey PSQYTAPXSHCGMF-BQYQJAHWSA-N
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