8'-Apo-beta-carotene methyl ester
[CAS# 4273-73-8]

Identification

• Name: 8'-Apo-beta-carotene methyl ester
• Synonyms: (2E,4E,6Z,8E,10E,12E,14E,16E)-2,6,11,15-Tetramethyl-17-(2,6,6-Trimethyl-1-Cyclohexenyl)Heptadeca-2,4,6,8,10,12,14,16-Octaenoic Acid Methyl Ester; 8'-Apo-Beta,Psi-Carotenoic Acid, Methyl Ester; 8'-Apo-Beta-Carotene Methyl Ester
• Molecular Formula: C₃₁H₄₂O₂
• Molecular Weight: 446.67
• CAS Registry Number: 4273-73-8
• SMILES: CC1=C(\C=C\C(=C\C=C\C(=C\C=C\C=C(/C=C/C=C(C(=O)OC)\C)C)C)C)C(CCC1)(C)C
• InChI: 1S/C31H42O2/c1-24(14-9-10-15-25(2)18-12-19-28(5)30(32)33-8)16-11-17-26(3)21-22-29-27(4)20-13-23-31(29,6)7/h9-12,14-19,21-22H,13,20,23H2,1-8H3/b10-9+,16-11+,18-12+,22-21+,24-14+,25-15-,26-17+,28-19+
• InChIKey: WWGLUXSMFKKERG-DWQDKMGGSA-N

Properties

• Density: 0.968g/cm³ (Cal.)
• Boiling point: 578.718°C at 760 mmHg (Cal.)
• Flash point: 333.12°C (Cal.)