1-(3-Bromophenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-pentanone
[CAS# 898785-78-9]

Identification

• Name: 1-(3-Bromophenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-pentanone
• Synonyms: 3'-bromo-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone
• Molecular Formula: C₁₇H₂₃BrO₃
• Molecular Weight: 355.27
• CAS Registry Number: 898785-78-9
• SMILES: Brc1cccc(c1)C(=O)CCCCC2OCC(C)(C)CO2
• InChI: 1S/C17H23BrO3/c1-17(2)11-20-16(21-12-17)9-4-3-8-15(19)13-6-5-7-14(18)10-13/h5-7,10,16H,3-4,8-9,11-12H2,1-2H3
• InChIKey: ROFCXHMELVLDAY-UHFFFAOYSA-N

Properties

• Density: 1.227g/cm³ (Cal.)
• Boiling point: 427.952°C at 760 mmHg (Cal.)
• Flash point: 212.618°C (Cal.)
• Refractive index: 1.511 (Cal.)