(6E,8E,10Z,12E,14Z,16E,18Z,20E,22E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-Dodecaene
[CAS# 502-64-7]

Identification

• Name: (6E,8E,10Z,12E,14Z,16E,18Z,20E,22E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-Dodecaene
• Synonyms: 2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-Dodecaene; 7,8-Dihydro-Psi,Psi-Carotene; Chebi:16833
• Molecular Formula: C₄₀H₅₈
• Molecular Weight: 538.90
• CAS Registry Number: 502-64-7
• SMILES: C(C=C(C)C)C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\CC/C=C(/CCC=C(C)C)C)C)C)C)C)C
• InChI: 1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
• InChIKey: ATCICVFRSJQYDV-XILUKMICSA-N

Properties

• Density: 0.883g/cm³ (Cal.)
• Boiling point: 650.678°C at 760 mmHg (Cal.)
• Flash point: 346.269°C (Cal.)

References

• (1): Wormit Michael. Quantum chemical insights in energy dissipation and carotenoid radical cation formation in light harvesting complexes, Physical Chemistry Chemical Physics, 2007