1-(2-Chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone
[CAS# 898785-86-9]

Identification

• Name: 1-(2-Chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone
• Synonyms: 2'-chloro-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone
• Molecular Formula: C₁₆H₂₁ClO₃
• Molecular Weight: 296.79
• CAS Registry Number: 898785-86-9
• SMILES: Clc1ccccc1C(=O)CCCC2OCC(C)(C)CO2
• InChI: 1S/C16H21ClO3/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: MTZUMZGNQJWLSD-UHFFFAOYSA-N

Properties

• Density: 1.104g/cm³ (Cal.)
• Boiling point: 374.355°C at 760 mmHg (Cal.)
• Flash point: 134.666°C (Cal.)
• Refractive index: 1.502 (Cal.)