5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-isopropylphenyl)-1-pentanone
[CAS# 898755-62-9]

Identification

• Name: 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-isopropylphenyl)-1-pentanone
• Synonyms: 5-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-isopropylvalerophenone
• Molecular Formula: C₂₀H₃₀O₃
• Molecular Weight: 318.45
• CAS Registry Number: 898755-62-9
• SMILES: CC(C)c1ccc(cc1)C(=O)CCCCC2OCC(C)(C)CO2
• InChI: 1S/C20H30O3/c1-15(2)16-9-11-17(12-10-16)18(21)7-5-6-8-19-22-13-20(3,4)14-23-19/h9-12,15,19H,5-8,13-14H2,1-4H3
• InChIKey: KRKMDHPUZOOZHH-UHFFFAOYSA-N

Properties

• Density: 0.984g/cm³ (Cal.)
• Boiling point: 430.622°C at 760 mmHg (Cal.)
• Flash point: 206.056°C (Cal.)
• Refractive index: 1.488 (Cal.)