3-Methyl-5-(2-(methylthio)-phenyl)-5-oxovaleric acid CAS 951892-86-7

Purity 97%+In StockPharmaceutical Standards
CAS No.951892-86-7
Molecular FormulaC13H16O3S
Molecular Weight252.33 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Methyl-5-(2-(methylthio)-phenyl)-5-oxovaleric acid CAS 951892-86-7 chemical structure

Description

The occurrence of 3-Methyl-5-(2-(methylthio)-phenyl)-5-oxovaleric acid is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 3-Methyl-5-(2-(methylthio)-phenyl)-5-oxovaleric acid (CAS 951892-86-7), a certified reference material (molecular formula C13H16O3S, MW 252.33 g/mol) for analytical method development and quality control.

The molecular framework of 3-Methyl-5-(2-(methylthio)-phenyl)-5-oxovaleric acid (C13H16O3S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC13H16O3S
Molecular Weight252.33 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Sulfur Atoms1

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