4-[(3S,4R)-4-(4-Hydroxyphenyl)Hexan-3-Yl]Cyclohex-3-En-1-One
[CAS# 129579-58-4]

Identification

• Name: 4-[(3S,4R)-4-(4-Hydroxyphenyl)Hexan-3-Yl]Cyclohex-3-En-1-One
• Synonyms: 4-[(1S,2R)-1-Ethyl-2-(4-Hydroxyphenyl)Butyl]Cyclohex-3-En-1-One; 4-[(1S,2R)-1-Ethyl-2-(4-Hydroxyphenyl)Butyl]-1-Cyclohex-3-Enone; 3-(Cyclohex-3-En-1-On-4-Yl)-4-(4-Hydroxyphenyl)Hexane
• Molecular Formula: C₁₈H₂₄O₂
• Molecular Weight: 272.39
• CAS Registry Number: 129579-58-4
• SMILES: [C@@H]([C@@H](C1=CCC(=O)CC1)CC)(C2=CC=C(O)C=C2)CC
• InChI: 1S/C18H24O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-7,9-10,17-19H,3-4,8,11-12H2,1-2H3/t17-,18+/m0/s1
• InChIKey: FQWBKFFNHFNQHT-ZWKOTPCHSA-N

Properties

• Density: 1.065g/cm³ (Cal.)
• Boiling point: 421.704°C at 760 mmHg (Cal.)
• Flash point: 179.975°C (Cal.)