1-(Benzylthio)-3,3-dimethylbutan-2-one CAS 17697-99-3

Purity 97%+In StockPharmaceutical Standards
CAS No.17697-99-3
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(Benzylthio)-3,3-dimethylbutan-2-one CAS 17697-99-3 chemical structure

Description

The occurrence of 1-(Benzylthio)-3,3-dimethylbutan-2-one is closely related to sulfur-containing functionality, 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 1-(Benzylthio)-3,3-dimethylbutan-2-one (CAS 17697-99-3), a certified reference material (molecular formula C13H18OS, MW 222.35 g/mol) for analytical method development and quality control.

Owing to sulfur-containing functionality, a hydroxyl group, an ether linkage, an aromatic ring system, 1-(Benzylthio)-3,3-dimethylbutan-2-one is typically off-white to pale yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 222.35 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).

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 FormulaC13H18OS
Molecular Weight222.35 g/mol
Purity97%+
StorageStore at room temperature
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityStable under recommended storage conditions
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1962
Sulfur Atoms1

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