1-(4-Chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone
[CAS# 898785-90-5]

Identification

• Name: 1-(4-Chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone
• Synonyms: 4'-chloro-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone
• Molecular Formula: C₁₆H₂₁ClO₃
• Molecular Weight: 296.79
• CAS Registry Number: 898785-90-5
• SMILES: Clc1ccc(cc1)C(=O)CCCC2OCC(C)(C)CO2
• InChI: 1S/C16H21ClO3/c1-16(2)10-19-15(20-11-16)5-3-4-14(18)12-6-8-13(17)9-7-12/h6-9,15H,3-5,10-11H2,1-2H3
• InChIKey: GMBGSQXZUFAJIE-UHFFFAOYSA-N

Properties

• Density: 1.104g/cm³ (Cal.)
• Boiling point: 402.664°C at 760 mmHg (Cal.)
• Flash point: 149.729°C (Cal.)
• Refractive index: 1.502 (Cal.)