5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-iodophenyl)-1-pentanone
[CAS# 898785-64-3]

Identification

• Name: 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-iodophenyl)-1-pentanone
• Synonyms: 5-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-iodovalerophenone
• Molecular Formula: C₁₇H₂₃IO₃
• Molecular Weight: 402.27
• CAS Registry Number: 898785-64-3
• SMILES: Ic1ccc(cc1)C(=O)CCCCC2OCC(C)(C)CO2
• InChI: 1S/C17H23IO3/c1-17(2)11-20-16(21-12-17)6-4-3-5-15(19)13-7-9-14(18)10-8-13/h7-10,16H,3-6,11-12H2,1-2H3
• InChIKey: AGUCJKUAIWWONV-UHFFFAOYSA-N

Properties

• Density: 1.361g/cm³ (Cal.)
• Boiling point: 445.418°C at 760 mmHg (Cal.)
• Flash point: 223.181°C (Cal.)
• Refractive index: 1.535 (Cal.)