4-Methylcatechol-O,O-Diacetic Acid
[CAS# 5458-76-4]

Identification

• Name: 4-Methylcatechol-O,O-Diacetic Acid
• Synonyms: 2-[2-(Carboxymethyloxy)-5-Methyl-Phenoxy]Acetic Acid; 2-[2-(Carboxymethyloxy)-5-Methyl-Phenoxy]Ethanoic Acid; St5409406
• Molecular Formula: C₁₁H₁₂O₆
• Molecular Weight: 240.21
• CAS Registry Number: 5458-76-4
• EINECS: 226-723-3
• SMILES: C1=C(C(=CC(=C1)C)OCC(O)=O)OCC(O)=O
• InChI: 1S/C11H12O6/c1-7-2-3-8(16-5-10(12)13)9(4-7)17-6-11(14)15/h2-4H,5-6H2,1H3,(H,12,13)(H,14,15)
• InChIKey: XNWHXCLJBFNQDQ-UHFFFAOYSA-N

Properties

• Density: 1.365g/cm³ (Cal.)
• Boiling point: 439.173°C at 760 mmHg (Cal.)
• Flash point: 172.722°C (Cal.)