4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(2-iodophenyl)-1-butanone
[CAS# 898785-54-1]

Identification

• Name: 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(2-iodophenyl)-1-butanone
• Synonyms: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-2'-iodobutyrophenone
• Molecular Formula: C₁₆H₂₁IO₃
• Molecular Weight: 388.24
• CAS Registry Number: 898785-54-1
• SMILES: Ic1ccccc1C(=O)CCCC2OCC(C)(C)CO2
• InChI: 1S/C16H21IO3/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: WMLGNMBISXCWPW-UHFFFAOYSA-N

Properties

• Density: 1.391g/cm³ (Cal.)
• Boiling point: 425.193°C at 760 mmHg (Cal.)
• Flash point: 210.95°C (Cal.)
• Refractive index: 1.539 (Cal.)