6-(3,4-Methylenedioxyphenyl)-2H-pyran-2-one
[CAS# 91-89-4]

Identification

• Name: 6-(3,4-Methylenedioxyphenyl)-2H-pyran-2-one
• Synonyms: 6-(1,3-Benzodioxol-5-Yl)-2-Pyranone; 2,4-Pentadienoic Acid, 5-Hydroxy-5-(3,4-(Methylenedioxy)Phenyl)-, Delta-Lactone; 2H-Pyran-2-One, 6-(1,3-Benzodioxol-5-Yl)- (9Ci)
• Molecular Formula: C₁₂H₈O₄
• Molecular Weight: 216.19
• CAS Registry Number: 91-89-4
• SMILES: C2=C1OCOC1=CC=C2C3=CC=CC(O3)=O
• InChI: 1S/C12H8O4/c13-12-3-1-2-9(16-12)8-4-5-10-11(6-8)15-7-14-10/h1-6H,7H2
• InChIKey: FTGVBKACGWMZPN-UHFFFAOYSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 428.517°C at 760 mmHg (Cal.)
• Flash point: 196.19°C (Cal.)