(2E,4E,6E)-3-Methyl-7-(4,4,5,7A-Tetramethyl-3A,4,5,6,7,7A-Hexahydro-1-Benzofuran-2-Yl)-2,4,6-Octatrienoate
[CAS# 147650-80-4]

Identification

• Name: (2E,4E,6E)-3-Methyl-7-(4,4,5,7A-Tetramethyl-3A,4,5,6,7,7A-Hexahydro-1-Benzofuran-2-Yl)-2,4,6-Octatrienoate
• Synonyms: methyl-5,8-epoxyretinoate
• Molecular Formula: C₂₁H₂₉O₃
• Molecular Weight: 329.45
• CAS Registry Number: 147650-80-4
• SMILES: [O-]C(=O)\C=C(/C)\C=C\C=C(/C)\C\1=C/C2[C@@](C)(C)C(C)CCC2(C)O/1
• InChI: 1S/C21H30O3/c1-14(12-19(22)23)8-7-9-15(2)17-13-18-20(4,5)16(3)10-11-21(18,6)24-17/h7-9,12-13,16,18H,10-11H2,1-6H3,(H,22,23)/p-1/b8-7+,14-12+,15-9+
• InChIKey: ZHISZJNDCXUTLS-ZYPJJRLQSA-M

Properties

• Boiling point: 461.014°C at 760 mmHg (Cal.)
• Flash point: 154.491°C (Cal.)
• Refractive index: (Cal.)