4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-pentylphenyl)-1-butanone
[CAS# 898787-27-4]

Identification

• Name: 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-pentylphenyl)-1-butanone
• Synonyms: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-pentylbutyrophenone
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 898787-27-4
• SMILES: CCCCCc1ccc(cc1)C(=O)CCCC2OCC(C)(C)CO2
• InChI: 1S/C21H32O3/c1-4-5-6-8-17-11-13-18(14-12-17)19(22)9-7-10-20-23-15-21(2,3)16-24-20/h11-14,20H,4-10,15-16H2,1-3H3
• InChIKey: JJWGZJGZKSUOCJ-UHFFFAOYSA-N

Properties

• Density: 0.98g/cm³ (Cal.)
• Boiling point: 445.804°C at 760 mmHg (Cal.)
• Flash point: 215.348°C (Cal.)
• Refractive index: 1.489 (Cal.)