Echinenone
[CAS# 432-68-8]

Identification

• Name: Echinenone
• Synonyms: 2,4,4-Trimethyl-3-[3,7,12,16-Tetramethyl-18-(2,6,6-Trimethyl-1-Cyclohexenyl)Octadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]Cyclohex-2-En-1-One; 2,4,4-Trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-Tetramethyl-18-(2,6,6-Trimethyl-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-1-Cyclohexenyl)Octadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-1-Cyclohex-2-Enone
• Molecular Formula: C₄₀H₅₄O
• Molecular Weight: 550.87
• CAS Registry Number: 432-68-8
• EINECS: 207-083-4
• SMILES: CC2=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(CCCC1(C)C)C)C)C)C)C)C(CCC2=O)(C)C
• InChI: 1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
• InChIKey: QXNWZXMBUKUYMD-QQGJMDNJSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 685.3±25.0°C at 760 mmHg (Cal.)
• Flash point: 370.8±14.0°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.