5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-methoxyphenyl)-1-pentanone
[CAS# 898786-51-1]

Identification

• Name: 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-methoxyphenyl)-1-pentanone
• Synonyms: 5-(5,5-dimethyl-1,3-dioxan-2-yl)-3'-methoxyvalerophenone
• Molecular Formula: C₁₈H₂₆O₄
• Molecular Weight: 306.40
• CAS Registry Number: 898786-51-1
• SMILES: COc1cccc(c1)C(=O)CCCCC2OCC(C)(C)CO2
• InChI: 1S/C18H26O4/c1-18(2)12-21-17(22-13-18)10-5-4-9-16(19)14-7-6-8-15(11-14)20-3/h6-8,11,17H,4-5,9-10,12-13H2,1-3H3
• InChIKey: OUFJUIJNBITYOC-UHFFFAOYSA-N

Properties

• Density: 1.03g/cm³ (Cal.)
• Boiling point: 410.068°C at 760 mmHg (Cal.)
• Flash point: 177.82°C (Cal.)
• Refractive index: 1.488 (Cal.)