CAS 5458-76-4

4-Methylcatechol-O,O-diacetic acid

Description:

4-Methylcatechol-O,O-diacetic acid, with the CAS number 5458-76-4, is an organic compound characterized by its catechol structure, which features two hydroxyl groups (-OH) on adjacent carbon atoms in a benzene ring, along with a methyl group and two acetic acid moieties. This compound is typically a white to off-white crystalline solid and is soluble in water due to the presence of the polar hydroxyl and carboxylic acid groups. It exhibits properties such as being a chelating agent, which allows it to form stable complexes with metal ions, making it useful in various applications, including analytical chemistry and biochemistry. The presence of the diacetic acid functional groups enhances its reactivity and potential for modification, allowing for further chemical transformations. Additionally, it may have applications in pharmaceuticals and as a biochemical reagent. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₁₁H₁₂O₆

InChI: InChI=1/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)

InChI key: InChIKey=XNWHXCLJBFNQDQ-UHFFFAOYSA-N

SMILES: O(CC(O)=O)C1=C(OCC(O)=O)C=C(C)C=C1

Synonyms:

• 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid
• 2,2'-[(4-Methylbenzene-1,2-Diyl)Bis(Oxy)]Diacetic Acid
• 2,2'-[(4-Methylbenzene-1,3-Diyl)Bis(Oxy)]Diacetic Acid
• Acetic acid, 2,2′-[(4-methyl-1,2-phenylene)bis(oxy)]bis-
• Acetic acid, [(4-methyl-o-phenylene)dioxy]di-
• NSC 23710