Benzyl 2-methyltetrahydrothiophene-2-carboxylate 1,1-dioxide CAS 327618-08-6

Purity 97%+In StockPharmaceutical Standards
CAS No.327618-08-6
Molecular FormulaC13H16O4S
Molecular Weight268.33 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Benzyl 2-methyltetrahydrothiophene-2-carboxylate 1,1-dioxide CAS 327618-08-6 chemical structure

Description

Benzyl 2-methyltetrahydrothiophene-2-carboxylate 1,1-dioxide (CAS 327618-08-6), molecular formula C13H16O4S and molecular weight 268.33 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system, Benzyl 2-methyltetrahydrothiophene-2-carboxylate 1,1-dioxide is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 268.33 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC13H16O4S
Molecular Weight268.33 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
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
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Sulfur Atoms1

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