5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-iodo-4-methylphenyl)-1-pentanone
[CAS# 898757-17-0]

Identification

• Name: 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-iodo-4-methylphenyl)-1-pentanone
• Synonyms: 5-(5,5-dimethyl-1,3-dioxan-2-yl)-3'-iodo-4'-methylvalerophenone
• Molecular Formula: C₁₈H₂₅IO₃
• Molecular Weight: 416.29
• CAS Registry Number: 898757-17-0
• SMILES: Cc1ccc(cc1I)C(=O)CCCCC2OCC(C)(C)CO2
• InChI: 1S/C18H25IO3/c1-13-8-9-14(10-15(13)19)16(20)6-4-5-7-17-21-11-18(2,3)12-22-17/h8-10,17H,4-7,11-12H2,1-3H3
• InChIKey: CINSFWVMFRFIOM-UHFFFAOYSA-N

Properties

• Density: 1.335g/cm³ (Cal.)
• Boiling point: 464.623°C at 760 mmHg (Cal.)
• Flash point: 234.796°C (Cal.)
• Refractive index: 1.533 (Cal.)