5-(4-Chloro-2-methylphenyl)-3-methyl-5-oxovaleric acid CAS 951885-45-3

Purity 97%+In StockPharmaceutical Standards
CAS No.951885-45-3
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(4-Chloro-2-methylphenyl)-3-methyl-5-oxovaleric acid CAS 951885-45-3 chemical structure

Description

The occurrence of 5-(4-Chloro-2-methylphenyl)-3-methyl-5-oxovaleric acid is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

5-(4-Chloro-2-methylphenyl)-3-methyl-5-oxovaleric acid (CAS 951885-45-3) is a high-purity analytical reference standard with the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol.

5-(4-Chloro-2-methylphenyl)-3-methyl-5-oxovaleric acid (C13H15ClO3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 FormulaC13H15ClO3
Molecular Weight254.71 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentCl-containing

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