5-[3,4-(Methylenedioxy)phenyl]-1,3-cyclohexanedione , 97% , 55579-76-5

CAS NO.：55579-76-5

Empirical Formula: C13H12O4

Molecular Weight: 232.23

MDL number: MFCD00111711

PRODUCT Properties

• Melting point: 179-181 °C(lit.)
• Boiling point: 413.5±45.0 °C(Predicted)
• Density: 1.328±0.06 g/cm3(Predicted)
• pka: 4.92±0.20(Predicted)
• form: solid
• InChI: 1S/C13H12O4/c14-10-3-9(4-11(15)6-10)8-1-2-12-13(5-8)17-7-16-12/h1-2,5,9H,3-4,6-7H2
• InChIKey: BNXUYPAIVILSTN-UHFFFAOYSA-N
• SMILES: O=C1CC(CC(=O)C1)c2ccc3OCOc3c2

Safety

• PPE: Eyeshields, Gloves, type N95 (US)
• WGK Germany: 3
• HS Code: 2932990090
• Storage Class: 11 - Combustible Solids