6-(1,3-Dihydro-4-Hydroxy-6-Methoxy-7-Methyl-3-Oxo-5-Isobenzofuranyl)-4-Methylhex-4-Enoic Acid
[CAS# 483-60-3]

Identification

• Name: 6-(1,3-Dihydro-4-Hydroxy-6-Methoxy-7-Methyl-3-Oxo-5-Isobenzofuranyl)-4-Methylhex-4-Enoic Acid
• Synonyms: 6-(4-Hydroxy-6-Methoxy-7-Methyl-3-Oxo-1H-2-Benzofuran-5-Yl)-4-Methylhex-4-Enoic Acid; 6-(4-Hydroxy-6-Methoxy-7-Methyl-3-Oxo-1H-Isobenzofuran-5-Yl)-4-Methyl-Hex-4-Enoic Acid; (E)-6-(4-Hydroxy-6-Methoxy-7-Methyl-3-Oxo-1H-Isobenzofuran-5-Yl)-4-Methyl-Hex-4-Enoic Acid
• Molecular Formula: C₁₇H₂₀O₆
• Molecular Weight: 320.34
• CAS Registry Number: 483-60-3
• EINECS: 207-595-8
• SMILES: C(C1=C(C2=C(C(=C1OC)C)COC2=O)O)\C=C(\CCC(O)=O)C
• InChI: 1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
• InChIKey: HPNSFSBZBAHARI-RUDMXATFSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 143°C (Expl.)
• Boiling point: 611.6±55.0°C at 760 mmHg (Cal.)
• Flash point: 225.8±25.0°C (Cal.)
• solubility: Soluble to 100 mM in DMSO

References

• (1): Matteo Calvaresi and Francesco Zerbetto. Fullerene sorting proteins, Nanoscale, 2011, 3, 2873.