5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-hexylphenyl)-1-pentanone
[CAS# 898755-51-6]

Identification

• Name: 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-hexylphenyl)-1-pentanone
• Synonyms: 5-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-hexylvalerophenone
• Molecular Formula: C₂₃H₃₆O₃
• Molecular Weight: 360.53
• CAS Registry Number: 898755-51-6
• SMILES: CCCCCCc1ccc(cc1)C(=O)CCCCC2OCC(C)(C)CO2
• InChI: 1S/C23H36O3/c1-4-5-6-7-10-19-13-15-20(16-14-19)21(24)11-8-9-12-22-25-17-23(2,3)18-26-22/h13-16,22H,4-12,17-18H2,1-3H3
• InChIKey: CZLOJDJPTWKPHG-UHFFFAOYSA-N

Properties

• Density: 0.968g/cm³ (Cal.)
• Boiling point: 471.447°C at 760 mmHg (Cal.)
• Flash point: 231.042°C (Cal.)
• Refractive index: 1.487 (Cal.)