2-[(2Z,4Z,6Z,8Z)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ylidene]-5-(4-methoxyphenyl)-1,3-cyclohexanedione
[CAS# 73685-21-9]

Identification

• Name: 2-[(2Z,4Z,6Z,8Z)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ylidene]-5-(4-methoxyphenyl)-1,3-cyclohexanedione
• Synonyms: 1,3-Cyclohexanedione, 2-(3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenylidene)-5-(4-methoxyphenyl)-, (all-E)-; 2-(3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenylidene)-5-(4-methoxyphenyl)-1,3-cyclohexanedione (all-E)-; 2-Retinylidene-5-p-methoxyphenyl-1,3-cyclohexanedione, trans-
• Molecular Formula: C₃₃H₄₀O₃
• Molecular Weight: 484.67
• CAS Registry Number: 73685-21-9
• SMILES: O=C2/C(C(=O)CC(c1ccc(OC)cc1)C2)=C\C=C(/C=C\C=C(/C=C\C3=C(/C)CCCC3(C)C)C)C
• InChI: 1S/C33H40O3/c1-23(9-7-10-24(2)13-19-30-25(3)11-8-20-33(30,4)5)12-18-29-31(34)21-27(22-32(29)35)26-14-16-28(36-6)17-15-26/h7,9-10,12-19,27H,8,11,20-22H2,1-6H3/b9-7-,19-13-,23-12-,24-10-,29-18-
• InChIKey: KSHAYCLRFWTRIQ-WPJCTVLTSA-N

Properties

• Density: 1.087g/cm³ (Cal.)
• Boiling point: 661.6°C at 760 mmHg (Cal.)
• Flash point: 276.512°C (Cal.)