5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(5-fluoro-2-methylphenyl)-1-pentanone
[CAS# 898755-98-1]

Identification

• Name: 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(5-fluoro-2-methylphenyl)-1-pentanone
• Synonyms: 5-(5,5-dimethyl-1,3-dioxan-2-yl)-5'-fluoro-2'-methylvalerophenone
• Molecular Formula: C₁₈H₂₅FO₃
• Molecular Weight: 308.39
• CAS Registry Number: 898755-98-1
• SMILES: Fc1cc(c(C)cc1)C(=O)CCCCC2OCC(C)(C)CO2
• InChI: 1S/C18H25FO3/c1-13-8-9-14(19)10-15(13)16(20)6-4-5-7-17-21-11-18(2,3)12-22-17/h8-10,17H,4-7,11-12H2,1-3H3
• InChIKey: QNFSPNDJWLRNRR-UHFFFAOYSA-N

Properties

• Density: 1.049g/cm³ (Cal.)
• Boiling point: 399.66°C at 760 mmHg (Cal.)
• Flash point: 188.728°C (Cal.)
• Refractive index: 1.483 (Cal.)