3-(1-Oxobutyl)-2H-1-Benzopyran-2-One
[CAS# 1846-73-7]

Identification

• Name: 3-(1-Oxobutyl)-2H-1-Benzopyran-2-One
• Synonyms: 3-(1-Oxobutyl)-2-Chromenone; 3-Butyrylcoumarin; 3-Butyryl-2H-Chromen-2-One
• Molecular Formula: C₁₃H₁₂O₃
• Molecular Weight: 216.24
• CAS Registry Number: 1846-73-7
• SMILES: C1=CC=CC2=C1C=C(C(CCC)=O)C(O2)=O
• InChI: 1S/C13H12O3/c1-2-5-11(14)10-8-9-6-3-4-7-12(9)16-13(10)15/h3-4,6-8H,2,5H2,1H3
• InChIKey: HMTUJOLTTSWOHC-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 92-96°C (Expl.)
• Boiling point: 405.6±33.0°C at 760 mmHg (Cal.)
• Flash point: 183.3±25.4°C (Cal.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract