4-Propyl-5,7-Dihydroxy-6-(3-Methylbutanoyl)-8-(3-Methyl-2-Butenyl)-2H-1-Benzopyran-2-One
[CAS# 478-67-1]

Identification

• Name: 4-Propyl-5,7-Dihydroxy-6-(3-Methylbutanoyl)-8-(3-Methyl-2-Butenyl)-2H-1-Benzopyran-2-One
• Synonyms: 5,7-Dihydroxy-6-(3-Methylbutanoyl)-8-(3-Methylbut-2-Enyl)-4-Propyl-Chromen-2-One; 5,7-Dihydroxy-8-(3-Methylbut-2-Enyl)-6-(3-Methyl-1-Oxobutyl)-4-Propyl-2-Chromenone; 5,7-Dihydroxy-6-Isovaleryl-8-(3-Methylbut-2-Enyl)-4-Propyl-Coumarin
• Molecular Formula: C₂₂H₂₈O₅
• Molecular Weight: 372.46
• CAS Registry Number: 478-67-1
• SMILES: C(C2=C1OC(=O)C=C(C1=C(C(=C2O)C(CC(C)C)=O)O)CCC)C=C(C)C
• InChI: 1S/C22H28O5/c1-6-7-14-11-17(24)27-22-15(9-8-12(2)3)20(25)19(21(26)18(14)22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3
• InChIKey: VXFHCMCZMKQIMR-UHFFFAOYSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 559.399°C at 760 mmHg (Cal.)
• Flash point: 191.636°C (Cal.)