2-chloro-2-(3,4-dimethyl­phenyl­)-acet­ic acid ethyl ester CAS 79714-32-2

Purity 97%+In StockPharmaceutical Standards
CAS No.79714-32-2
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-chloro-2-(3,4-dimethyl­phenyl­)-acet­ic acid ethyl ester CAS 79714-32-2 chemical structure

Description

Based on its molecular formula C12H15ClO2, 2-chloro-2-(3,4-dimethyl­phenyl­)-acet­ic acid ethyl ester contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 226.70 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

2-chloro-2-(3,4-dimethyl­phenyl­)-acet­ic acid ethyl ester (CAS 79714-32-2), molecular formula C12H15ClO2 and molecular weight 226.70 g/mol, is a CATO reference standard with documented purity and traceability.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

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 FormulaC12H15ClO2
Molecular Weight226.70 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at room temperature, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1979
Halogen ContentCl-containing

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