CAS 6315-21-5

2-[(4-Methylphenyl)methyl]butanedioic acid

Description:

2-[(4-Methylphenyl)methyl]butanedioic acid, also known as dimethyl 4-methylphenylmalonate, is an organic compound characterized by its structure, which features a butanedioic acid backbone substituted with a 4-methylphenyl group. This compound typically appears as a white to off-white crystalline solid. It is soluble in organic solvents such as ethanol and acetone but has limited solubility in water due to its hydrophobic aromatic group. The presence of both carboxylic acid functional groups contributes to its acidity, making it a potential candidate for various chemical reactions, including esterification and condensation. This compound is often used in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. Its unique structure allows for the introduction of diverse functional groups, enhancing its utility in synthetic chemistry. Safety data indicates that, like many organic compounds, it should be handled with care, using appropriate safety measures to avoid inhalation or skin contact.

Formula: C₁₂H₁₄O₄

InChI: InChI=1S/C12H14O4/c1-8-2-4-9(5-3-8)6-10(12(15)16)7-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)(H,15,16)

InChI key: InChIKey=CBRJMHNWUUTCDW-UHFFFAOYSA-N

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

Synonyms:

• 2-(4-Methylbenzyl)succinic acid
• 2-(4-Methylbenzyl)succinicacid
• 2-[(4-Methylphenyl)methyl]butanedioic acid
• Butanedioic Acid, 2-[(4-Methylphenyl)Methyl]-
• Butanedioic acid, [(4-methylphenyl)methyl]-
• NSC 20719
• Succinic acid, (p-methylbenzyl)-

Butanedioic acid, (4-methylphenyl)methyl-

CAS: 6315-21-5

Formula: C₁₂H₁₄O₄

Purity: 98%

Color and Shape: Solid

Molecular weight: 222.2372

Ref: IN-DA00ER1S

4-Methylbenzylsuccinic Acid

Controlled Product

CAS: 6315-21-5

Formula: C₁₂H₁₄O₄

Color and Shape: Neat

Molecular weight: 222.237

Ref: TR-M880010

4-Methylbenzylsuccinic Acid

CAS: 6315-21-5

4-Methylbenzylsuccinic acid is a metabolite of benzoic acid and other aromatic compounds. It is a precursor in the biosynthesis of 4-methylphenol, which is used as a biocide in cosmetics, plastics, and textiles. The conversion of 4-methylbenzylsuccinic acid to 4-methylphenol occurs by way of 2 methyl groups that are added to the molecule by sulfate reductase. The enzymes fumarate reductase and sulfide oxidoreductase are involved in the conversion of 4-methylbenzylsuccinic acid to 4-methylphenol. In addition, this compound is converted to an intermediate in the biosynthesis of pyrrole, which can be used as an antioxidant or as a precursor for other molecules.

Formula: C₁₂H₁₄O₄

Purity: Min. 95%

Molecular weight: 222.24 g/mol

Ref: 3D-GAA31521