5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4-(2-methyl-2-propanyl)phenyl]-1-pentanone
[CAS# 898755-70-9]

Identification

• Name: 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4-(2-methyl-2-propanyl)phenyl]-1-pentanone
• Synonyms: 4'-tert-butyl-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 898755-70-9
• SMILES: CC(C)(C)c1ccc(cc1)C(=O)CCCCC2OCC(C)(C)CO2
• InChI: 1S/C21H32O3/c1-20(2,3)17-12-10-16(11-13-17)18(22)8-6-7-9-19-23-14-21(4,5)15-24-19/h10-13,19H,6-9,14-15H2,1-5H3
• InChIKey: RGVQNINKLZTDLX-UHFFFAOYSA-N

Properties

• Density: 0.977g/cm³ (Cal.)
• Boiling point: 434.872°C at 760 mmHg (Cal.)
• Flash point: 208.657°C (Cal.)
• Refractive index: 1.485 (Cal.)