(2E,4E)-5-[(1R,6R)-1-Hydroxy-2,6-Dimethyl-4-Oxo-6-(Trifluoromethyl)-1-Cyclohex-2-Enyl]-3-Methylpenta-2,4-Dienoic Acid
[CAS# 164457-19-6]

Identification

• Name: (2E,4E)-5-[(1R,6R)-1-Hydroxy-2,6-Dimethyl-4-Oxo-6-(Trifluoromethyl)-1-Cyclohex-2-Enyl]-3-Methylpenta-2,4-Dienoic Acid
• Synonyms: (2E,4E)-5-[(1R,6R)-1-Hydroxy-2,6-Dimethyl-4-Oxo-6-(Trifluoromethyl)-1-Cyclohex-2-Enyl]-3-Methyl-Penta-2,4-Dienoic Acid; (2E,4E)-5-[(1R,6R)-1-Hydroxy-4-Keto-2,6-Dimethyl-6-(Trifluoromethyl)-1-Cyclohex-2-Enyl]-3-Methyl-Penta-2,4-Dienoic Acid; 8',8',8'-Trifluoro-Aba
• Molecular Formula: C₁₅H₁₇F₃O₄
• Molecular Weight: 318.29
• CAS Registry Number: 164457-19-6
• SMILES: [C@]1([C@](O)(C(=CC(=O)C1)C)\C=C\C(=C\C(=O)O)C)(C(F)(F)F)C
• InChI: 1S/C15H17F3O4/c1-9(6-12(20)21)4-5-14(22)10(2)7-11(19)8-13(14,3)15(16,17)18/h4-7,22H,8H2,1-3H3,(H,20,21)/b5-4+,9-6+/t13-,14-/m1/s1
• InChIKey: YTKWREVWVRILSP-WAAKHMAVSA-N

Properties

• Density: 1.357g/cm³ (Cal.)
• Boiling point: 448.967°C at 760 mmHg (Cal.)
• Flash point: 225.327°C (Cal.)