2-((3-Hydroxypropyl)thio)-1-(o-tolyl)ethan-1-one CAS 1477970-75-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1477970-75-4
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((3-Hydroxypropyl)thio)-1-(o-tolyl)ethan-1-one CAS 1477970-75-4 chemical structure

Description

The occurrence of 2-((3-Hydroxypropyl)thio)-1-(o-tolyl)ethan-1-one 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.

2-((3-Hydroxypropyl)thio)-1-(o-tolyl)ethan-1-one (CAS 1477970-75-4), molecular formula C12H16O2S and molecular weight 224.32 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 2-((3-Hydroxypropyl)thio)-1-(o-tolyl)ethan-1-one (C12H16O2S) 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.

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 FormulaC12H16O2S
Molecular Weight224.32 g/mol
Purity97%+
StorageStore at room temperature
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.)1992
Sulfur Atoms1

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