Methyl (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,4,6,8-Tetraenoate
[CAS# 339-16-2]

Identification

• Name: Methyl (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,4,6,8-Tetraenoate
• Synonyms: (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,4,6,8-Tetraenoic Acid Methyl Ester; Retinoic Acid, Methyl Ester, All-Trans-; Brn 2059353
• Molecular Formula: C₂₁H₃₀O₂
• Molecular Weight: 314.47
• CAS Registry Number: 339-16-2
• SMILES: CC1(C(=C(CCC1)C)\C=C\C(=C\C=C\C(=C\C(OC)=O)C)C)C
• InChI: 1S/C21H30O2/c1-16(9-7-10-17(2)15-20(22)23-6)12-13-19-18(3)11-8-14-21(19,4)5/h7,9-10,12-13,15H,8,11,14H2,1-6H3/b10-7+,13-12+,16-9+,17-15+
• InChIKey: SREQLAJQLXPNMC-DXYSAURFSA-N

Properties

• Density: 0.975g/cm³ (Cal.)
• Boiling point: 426.069°C at 760 mmHg (Cal.)
• Flash point: 229.847°C (Cal.)