(4E)-3,5,5-Trimethyl-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-3,7,12,16-Tetramethyl-18-(2,6,6-Trimethyl-4-Oxo-1-Cyclohex-2-Enylidene)Octadeca-2,4,6,8,10,12,14,16-Octaenylidene]Cyclohex-2-En-1-One
[CAS# 116-30-3]

Identification

• Name: (4E)-3,5,5-Trimethyl-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-3,7,12,16-Tetramethyl-18-(2,6,6-Trimethyl-4-Oxo-1-Cyclohex-2-Enylidene)Octadeca-2,4,6,8,10,12,14,16-Octaenylidene]Cyclohex-2-En-1-One
• Synonyms: (4E)-3,5,5-Trimethyl-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-3,7,12,16-Tetramethyl-18-(2,6,6-Trimethyl-4-Oxo-1-Cyclohex-2-Enylidene)Octadeca-2,4,6,8,10,12,14,16-Octaenylidene]-1-Cyclohex-2-Enone; (4E)-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-18-(4-Keto-2,6,6-Trimethyl-1-Cyclohex-2-Enylidene)-3,7,12,16-Tetramethyl-Octadeca-2,4,6,8,10,12,14,16-Octaenylidene]-3,5,5-Trimethyl-Cyclohex-2-En-1-One; 4,5'-Retro-Beta,Beta-Carotene-3,3'-Dione, 4',5'-Didehydro-
• Molecular Formula: C₄₀H₅₀O₂
• Molecular Weight: 562.83
• CAS Registry Number: 116-30-3 (2231-40-5)
• SMILES: CC1(C(/C(=CC(=O)C1)C)=C\C=C(\C=C\C=C(\C=C\C=C\C(=C\C=C\C(=C\C=C\2C(CC(=O)C=C2C)(C)C)C)C)C)C)C
• InChI: 1S/C40H50O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-
• InChIKey: VWXMLZQUDPCJPL-ZDHAIZATSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 719.7±40.0°C at 760 mmHg (Cal.)
• Flash point: 254.8±24.3°C (Cal.)

References

• (1): Pavel Chábera, Marcel Fuciman, Petr Hříbek and Tomáš Polívka. Effect of carotenoid structure on excited-state dynamics of carbonyl carotenoids, Phys. Chem. Chem. Phys., 2009, 11, 8795.