1-[5-(1,3-Dioxolan-2-yl)-2-thienyl]-3-methyl-1-butanone
[CAS# 898772-84-4]

Identification

• Name: 1-[5-(1,3-Dioxolan-2-yl)-2-thienyl]-3-methyl-1-butanone
• Synonyms: 5-(1,3-Dioxolan-2-yl)-2-thienyl 2-methylpropyl ketone
• Molecular Formula: C₁₂H₁₆O₃S
• Molecular Weight: 240.32
• CAS Registry Number: 898772-84-4
• SMILES: CC(C)CC(=O)c1ccc(s1)C2OCCO2
• InChI: 1S/C12H16O3S/c1-8(2)7-9(13)10-3-4-11(16-10)12-14-5-6-15-12/h3-4,8,12H,5-7H2,1-2H3
• InChIKey: JJVNRMNVDGPLGO-UHFFFAOYSA-N

Properties

• Density: 1.167g/cm³ (Cal.)
• Boiling point: 375.905°C at 760 mmHg (Cal.)
• Flash point: 181.141°C (Cal.)
• Refractive index: 1.531 (Cal.)