Pyranocoumarin
[CAS# 518-20-7]

Identification

• Classification: Analytical chemistry >> Standard >> Cosmetic standard
• Name: Pyranocoumarin
• Synonyms: 2H,5H-Pyrano[3,2-C][1]Benzopyran-5-One, 3,4-Dihydro-2-Methoxy-2-Methyl-4-Phenyl-; Ncgc00166195-01; 45647_Riedel
• Molecular Formula: C₂₀H₁₈O₄
• Molecular Weight: 322.36
• CAS Registry Number: 518-20-7
• EINECS: 208-248-3
• SMILES: C1=CC=CC4=C1C3=C(C(C2=CC=CC=C2)CC(O3)(OC)C)C(O4)=O
• InChI: 1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3
• InChIKey: ZGFASEKBKWVCGP-UHFFFAOYSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 488.614°C at 760 mmHg (Cal.)
• Flash point: 216.213°C (Cal.)

References

• (1): Ene Jin Jung, Byung Ho Park and Yong Rok Lee. Environmentally benign, one-pot synthesis of pyrans by domino Knoevenagel/6π-electrocyclization in water and application to natural products, Green Chem., 2010, 12, 2003.