1-(3,5-Dimethoxyphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone
[CAS# 898756-21-3]

Identification

• Name: 1-(3,5-Dimethoxyphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone
• Synonyms: 3',5'-dimethoxy-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone
• Molecular Formula: C₁₈H₂₆O₅
• Molecular Weight: 322.40
• CAS Registry Number: 898756-21-3
• SMILES: COc1cc(cc(OC)c1)C(=O)CCCC2OCC(C)(C)CO2
• InChI: 1S/C18H26O5/c1-18(2)11-22-17(23-12-18)7-5-6-16(19)13-8-14(20-3)10-15(9-13)21-4/h8-10,17H,5-7,11-12H2,1-4H3
• InChIKey: AWFSMLQPFQRKMM-UHFFFAOYSA-N

Properties

• Density: 1.057g/cm³ (Cal.)
• Boiling point: 429.611°C at 760 mmHg (Cal.)
• Flash point: 186.794°C (Cal.)
• Refractive index: 1.488 (Cal.)