4-Propyl-5,7-Dihydroxy-6-(3-Methyl-2-Butenyl)-8-(3-Methylbutyryl)-2H-1-Benzopyran-2-One
[CAS# 521-38-0]

Identification

• Name: 4-Propyl-5,7-Dihydroxy-6-(3-Methyl-2-Butenyl)-8-(3-Methylbutyryl)-2H-1-Benzopyran-2-One
• Synonyms: 5,7-Dihydroxy-8-(3-Methylbutanoyl)-6-(3-Methylbut-2-Enyl)-4-Propyl-Chromen-2-One; 5,7-Dihydroxy-6-(3-Methylbut-2-Enyl)-8-(3-Methyl-1-Oxobutyl)-4-Propyl-2-Chromenone; 5,7-Dihydroxy-8-Isovaleryl-6-(3-Methylbut-2-Enyl)-4-Propyl-Coumarin
• Molecular Formula: C₂₂H₂₈O₅
• Molecular Weight: 372.46
• CAS Registry Number: 521-38-0
• SMILES: C(C1=C(C(=C2C(=C1O)C(=CC(O2)=O)CCC)C(CC(C)C)=O)O)C=C(C)C
• InChI: 1S/C22H28O5/c1-6-7-14-11-17(24)27-22-18(14)20(25)15(9-8-12(2)3)21(26)19(22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3
• InChIKey: LYJWLIYDNZREPC-UHFFFAOYSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 578.224°C at 760 mmHg (Cal.)
• Flash point: 199.171°C (Cal.)