Canthaxanthin

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Properties Simple | Detailed

Formula C31H22O2
IUPAC Name 4-ethynyl-5-[2-(2-methylcyclopropen-1-yl)ethynyl]-6-methylene-cyclohexa-2,4-dien-1-one; 4-ethynyl-6-methylene-5-[(2-prop-1-ynylcyclopropylidene)methylene]cyclohex-2-en-1-one
Molecular Mass 426.505 g·mol−1
Heat of Formation -109.3 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 789.64 Å 3
Surface Area 669.8 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.,.beta.-carotene-4,4'-dione
  • 2,4,4-trimethyl-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-2-enone
  • 2,4,4-trimethyl-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
  • 2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-2-enone
  • 2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
  • 3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-(3-keto-2,6,6-trimethyl-1-cyclohexenyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
  • 3-[18-(3-keto-2,6,6-trimethyl-1-cyclohexenyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
  • 4,4'-dioxo-beta-carotene
  • all-trans,beta-carotene-4,4'-dione
  • beta,beta-carotene-4,4'-dione
  • beta,beta-carotene-4,4'-dione (9ci)
  • beta-carotene-4,4'-dione, all-trans-
  • c.i. food orange 8
  • cantaxanthin
  • cantaxanthine
  • canthaxanthin (trans)
  • canthaxanthine
  • carophyll red
  • carotene-4,4'-dione, beta-
  • ci 40850
  • e 161 g
  • food orange 8
  • l-orange 7
  • lmpr01070264
  • ls-167
  • orobronze
  • ro-19915
  • roxanthin red 10
CAS Number(s)
  • 514-78-3
InChIKey FDSDTBUPSURDBL-DKLMTRRASA-N
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