2-Methyl-5-(propan-2-yl)benzoic acid CAS 3754-72-1

Purity 97%+In StockPharmaceutical Standards
CAS No.3754-72-1
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Methyl-5-(propan-2-yl)benzoic acid CAS 3754-72-1 chemical structure

Description

CATO supplies 2-Methyl-5-(propan-2-yl)benzoic acid (CAS 3754-72-1), a certified reference material (molecular formula C11H14O2, MW 178.23 g/mol) for analytical method development and quality control.

Structurally, 2-Methyl-5-(propan-2-yl)benzoic acid (C11H14O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 178.23 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC11H14O2
Molecular Weight178.23 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore at 2-8°C
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1958

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