Phyllodulcin
[CAS# 480-46-6]

Identification

• Name: Phyllodulcin
• Synonyms: 8-Hydroxy-3-(3-Hydroxy-4-Methoxy-Phenyl)Isochroman-1-One; 8-Hydroxy-3-(3-Hydroxy-4-Methoxyphenyl)-1-Isochromanone; 3,4-Dihydro-8-Hydroxy-3-(3-Hydroxy-4-Methoxyphenyl) 1H-2-Benzopyran-1-One
• Molecular Formula: C₁₆H₁₄O₅
• Molecular Weight: 286.28
• CAS Registry Number: 480-46-6
• SMILES: C1=CC=C(C3=C1CC(C2=CC(=C(OC)C=C2)O)OC3=O)O
• InChI: 1S/C16H14O5/c1-20-13-6-5-9(7-12(13)18)14-8-10-3-2-4-11(17)15(10)16(19)21-14/h2-7,14,17-18H,8H2,1H3
• InChIKey: PBILBHLAPJTJOT-UHFFFAOYSA-N

Properties

• Density: 1.371g/cm³ (Cal.)
• Boiling point: 540.644°C at 760 mmHg (Cal.)
• Flash point: 206.203°C (Cal.)

References

• (1): Arnoldi A, Bassoli A, Merlini L, Ragg E. Synthetic approach to optically active 3-aryl-3,4-dihydroisocoumarins, Gazzetta Chimica Italiana, 1992, 122, 403-407