5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-methoxyphenyl)-1-pentanone
[CAS# 898786-53-3]

Identification

• Name: 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-methoxyphenyl)-1-pentanone
• Synonyms: 5-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-methoxyvalerophenone
• Molecular Formula: C₁₈H₂₆O₄
• Molecular Weight: 306.40
• CAS Registry Number: 898786-53-3
• SMILES: COc1ccc(cc1)C(=O)CCCCC2OCC(C)(C)CO2
• InChI: 1S/C18H26O4/c1-18(2)12-21-17(22-13-18)7-5-4-6-16(19)14-8-10-15(20-3)11-9-14/h8-11,17H,4-7,12-13H2,1-3H3
• InChIKey: NETZMRFTWQQOKK-UHFFFAOYSA-N

Properties

• Density: 1.03g/cm³ (Cal.)
• Boiling point: 429.188°C at 760 mmHg (Cal.)
• Flash point: 187.12°C (Cal.)
• Refractive index: 1.488 (Cal.)