(4alpha,6beta(E))-DL-6-(2-(4'-Fluoro-3,3',5-Trimethyl(1,1'-Biphenyl)-2-Yl)Ethenyl)Tetrahydro-4-Hydroxy-2H-Pyran-2-One
[CAS# 85551-06-0]

Identification

• Name: (4alpha,6beta(E))-DL-6-(2-(4'-Fluoro-3,3',5-Trimethyl(1,1'-Biphenyl)-2-Yl)Ethenyl)Tetrahydro-4-Hydroxy-2H-Pyran-2-One
• Synonyms: (4R,6S)-6-[(E)-2-[2-(4-Fluoro-3-Methyl-Phenyl)-4,6-Dimethyl-Phenyl]Vinyl]-4-Hydroxy-Tetrahydropyran-2-One; (4R,6S)-6-[(E)-2-[2-(4-Fluoro-3-Methylphenyl)-4,6-Dimethylphenyl]Vinyl]-4-Hydroxy-2-Tetrahydropyranone; (4R,6S)-6-[(E)-2-[2-(4-Fluoro-3-Methyl-Phenyl)-4,6-Dimethyl-Phenyl]Ethenyl]-4-Hydroxy-Oxan-2-One
• Molecular Formula: C₂₂H₂₃FO₃
• Molecular Weight: 354.42
• CAS Registry Number: 85551-06-0
• SMILES: [C@@H]1(CC(O[C@@H](C1)\C=C\C2=C(C=C(C=C2C3=CC=C(C(=C3)C)F)C)C)=O)O
• InChI: 1S/C22H23FO3/c1-13-8-14(2)19(6-5-18-11-17(24)12-22(25)26-18)20(9-13)16-4-7-21(23)15(3)10-16/h4-10,17-18,24H,11-12H2,1-3H3/b6-5+/t17-,18-/m1/s1
• InChIKey: BNIBDNOALUGLCI-PJHKVULZSA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Boiling point: 530.21°C at 760 mmHg (Cal.)
• Flash point: 274.461°C (Cal.)