3-Hydroxy-5-Methoxy-2-Phenyl-4H-Chromen-4-One
[CAS# 6665-81-2]

Identification

• Name: 3-Hydroxy-5-Methoxy-2-Phenyl-4H-Chromen-4-One
• Synonyms: 3-HYDROXY-5-METHOXY-2-PHENYL-4H-1-BENZOPYRAN-4-ONE; 3-hydroxy-5-methoxy-2-phenylchromen-4-one; ZINC00057680
• Molecular Formula: C₁₆H₁₂O₄
• Molecular Weight: 268.26
• CAS Registry Number: 6665-81-2
• SMILES: COC1=CC=CC2=C1C(=O)C(=C(O2)C3=CC=CC=C3)O
• InChI: 1S/C16H12O4/c1-19-11-8-5-9-12-13(11)14(17)15(18)16(20-12)10-6-3-2-4-7-10/h2-9,18H,1H3
• InChIKey: WHLQVYWQNZFUPW-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 173-176°C (Expl.)
• Boiling point: 448.0±45.0°C at 760 mmHg (Cal.)
• Flash point: 170.0±22.2°C (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin