6-(1,1-Dimethylethyl)-4-Methyl-2H-1-Benzopyran-2-One
[CAS# 17874-32-7]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyran compound
• Name: 6-(1,1-Dimethylethyl)-4-Methyl-2H-1-Benzopyran-2-One
• Synonyms: 6-Tert-Butyl-4-Methyl-Chromen-2-One; 6-Tert-Butyl-4-Methyl-2-Chromenone; 6-Tert-Butyl-4-Methyl-Coumarin
• Molecular Formula: C₁₄H₁₆O₂
• Molecular Weight: 216.28
• CAS Registry Number: 17874-32-7
• SMILES: C1=C(C(C)(C)C)C=CC2=C1C(=CC(O2)=O)C
• InChI: 1S/C14H16O2/c1-9-7-13(15)16-12-6-5-10(8-11(9)12)14(2,3)4/h5-8H,1-4H3
• InChIKey: BVQZHRREUVIRFZ-UHFFFAOYSA-N

Properties

• Density: 1.072g/cm³ (Cal.)
• Boiling point: 336.054°C at 760 mmHg (Cal.)
• Flash point: 139.307°C (Cal.)