3-[(2Z,4Z,6E,8E)-1-Hydroxy-3,7-Dimethyl-1-Oxo-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,4,6,8-Tetraen-4-Yl]Benzoic Acid
[CAS# 141948-79-0]

Identification

• Name: 3-[(2Z,4Z,6E,8E)-1-Hydroxy-3,7-Dimethyl-1-Oxo-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,4,6,8-Tetraen-4-Yl]Benzoic Acid
• Synonyms: 3-[(1Z,3E,5E)-1-[(Z)-3-Hydroxy-1-Methyl-3-Oxo-Prop-1-Enyl]-4-Methyl-6-(2,6,6-Trimethyl-1-Cyclohexenyl)Hexa-1,3,5-Trienyl]Benzoic Acid; 3-[(1Z,3E,5E)-1-[(Z)-3-Hydroxy-1-Methyl-3-Oxoprop-1-Enyl]-4-Methyl-6-(2,6,6-Trimethyl-1-Cyclohexenyl)Hexa-1,3,5-Trienyl]Benzoic Acid; 3-[(1Z,3E,5E)-1-[(Z)-3-Hydroxy-3-Keto-1-Methyl-Prop-1-Enyl]-4-Methyl-6-(2,6,6-Trimethyl-1-Cyclohexenyl)Hexa-1,3,5-Trienyl]Benzoic Acid
• Molecular Formula: C₂₇H₃₂O₄
• Molecular Weight: 420.55
• CAS Registry Number: 141948-79-0
• SMILES: C2=C(C(/C(=C\C(=O)O)C)=C\C=C(\C=C\C1=C(CCCC1(C)C)C)C)C=CC=C2C(=O)O
• InChI: 1S/C27H32O4/c1-18(12-14-24-19(2)8-7-15-27(24,4)5)11-13-23(20(3)16-25(28)29)21-9-6-10-22(17-21)26(30)31/h6,9-14,16-17H,7-8,15H2,1-5H3,(H,28,29)(H,30,31)/b14-12+,18-11+,20-16-,23-13-
• InChIKey: XKKDQOHDTASHCE-PAZAWXFKSA-N

Properties

• Density: 1.131g/cm³ (Cal.)
• Boiling point: 612.157°C at 760 mmHg (Cal.)
• Flash point: 338.041°C (Cal.)