3-Hydroxy-4-Methoxy-5-Methyl-6-[(3-Methyl-2-Butenyl)Oxy]Isobenzofuran-1(3H)-One
[CAS# 99257-12-2]

Identification

• Name: 3-Hydroxy-4-Methoxy-5-Methyl-6-[(3-Methyl-2-Butenyl)Oxy]Isobenzofuran-1(3H)-One
• Synonyms: 3-Hydroxy-4-Methoxy-5-Methyl-6-(3-Methylbut-2-Enoxy)-3H-Isobenzofuran-1-One; C09983; Zinnolide
• Molecular Formula: C₁₅H₁₈O₅
• Molecular Weight: 278.30
• CAS Registry Number: 99257-12-2
• SMILES: C1=C(C(=C(C2=C1C(=O)OC2O)OC)C)OCC=C(C)C
• InChI: 1S/C15H18O5/c1-8(2)5-6-19-11-7-10-12(13(18-4)9(11)3)15(17)20-14(10)16/h5,7,15,17H,6H2,1-4H3
• InChIKey: CYYPEFYKFZTPFE-UHFFFAOYSA-N

Properties

• Density: 1.227g/cm³ (Cal.)
• Boiling point: 490.071°C at 760 mmHg (Cal.)
• Flash point: 183.91°C (Cal.)