1-[3,5-Bis(trifluoromethyl)phenyl]-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone
[CAS# 898755-91-4]

Identification

• Name: 1-[3,5-Bis(trifluoromethyl)phenyl]-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone
• Synonyms: bis-3',5'-trifluoromethyl-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone
• Molecular Formula: C₁₈H₂₀F₆O₃
• Molecular Weight: 398.34
• CAS Registry Number: 898755-91-4
• SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)CCCC2OCC(C)(C)CO2
• InChI: 1S/C18H20F6O3/c1-16(2)9-26-15(27-10-16)5-3-4-14(25)11-6-12(17(19,20)21)8-13(7-11)18(22,23)24/h6-8,15H,3-5,9-10H2,1-2H3
• InChIKey: ACSUTRWEBANKCN-UHFFFAOYSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 347.348°C at 760 mmHg (Cal.)
• Flash point: 158.404°C (Cal.)
• Refractive index: 1.434 (Cal.)