6-(3-Methyl-2-Butenyl)-5,7-Dimethoxy-2H-1-Benzopyran-2-One
[CAS# 4335-12-0]

Identification

• Name: 6-(3-Methyl-2-Butenyl)-5,7-Dimethoxy-2H-1-Benzopyran-2-One
• Synonyms: 5,7-Dimethoxy-6-(3-Methylbut-2-Enyl)-2-Chromenone; 5,7-Dimethoxy-6-(3-Methylbut-2-Enyl)Coumarin; Toddaculin
• Molecular Formula: C₁₆H₁₈O₄
• Molecular Weight: 274.32
• CAS Registry Number: 4335-12-0
• SMILES: C2=C1OC(=O)C=CC1=C(OC)C(=C2OC)CC=C(C)C
• InChI: 1S/C16H18O4/c1-10(2)5-6-11-13(18-3)9-14-12(16(11)19-4)7-8-15(17)20-14/h5,7-9H,6H2,1-4H3
• InChIKey: KRQHZFHWEAJPNO-UHFFFAOYSA-N

Properties

• Density: 1.139g/cm³ (Cal.)
• Boiling point: 432.809°C at 760 mmHg (Cal.)
• Flash point: 192.189°C (Cal.)