4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(2-fluorophenyl)-1-butanone
[CAS# 898786-04-4]

Identification

• Name: 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(2-fluorophenyl)-1-butanone
• Synonyms: 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-2'-fluorobutyrophenone; MFCD03844241
• Molecular Formula: C₁₆H₂₁FO₃
• Molecular Weight: 280.33
• CAS Registry Number: 898786-04-4
• SMILES: Fc1ccccc1C(=O)CCCC2OCC(C)(C)CO2
• InChI: 1S/C16H21FO3/c1-16(2)10-19-15(20-11-16)9-5-8-14(18)12-6-3-4-7-13(12)17/h3-4,6-7,15H,5,8-11H2,1-2H3
• InChIKey: XEEUXVRRXFMXDX-UHFFFAOYSA-N

Properties

• Density: 1.073g/cm³ (Cal.)
• Melting point: 60-61°C (Expl.)
• Boiling point: 365.921°C at 760 mmHg (Cal.)
• Flash point: 169.17°C (Cal.)
• Refractive index: 1.482 (Cal.)

Safety Data

• Safety Description: IRRITANT