4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-iodo-4-methylphenyl)-1-butanone
[CAS# 898757-15-8]

Identification

• Name: 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-iodo-4-methylphenyl)-1-butanone
• Synonyms: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-3'-iodo-4'-methylbutyrophenone
• Molecular Formula: C₁₇H₂₃IO₃
• Molecular Weight: 402.27
• CAS Registry Number: 898757-15-8
• SMILES: Cc1ccc(cc1I)C(=O)CCCC2OCC(C)(C)CO2
• InChI: 1S/C17H23IO3/c1-12-7-8-13(9-14(12)18)15(19)5-4-6-16-20-10-17(2,3)11-21-16/h7-9,16H,4-6,10-11H2,1-3H3
• InChIKey: FLKGBMIRIJSHDF-UHFFFAOYSA-N

Properties

• Density: 1.362g/cm³ (Cal.)
• Boiling point: 452.581°C at 760 mmHg (Cal.)
• Flash point: 227.513°C (Cal.)
• Refractive index: 1.537 (Cal.)