2-(Benzylsulfanyl)-3-methylbutanoic acid CAS 1016686-85-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1016686-85-3
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(Benzylsulfanyl)-3-methylbutanoic acid CAS 1016686-85-3 chemical structure

Description

The occurrence of 2-(Benzylsulfanyl)-3-methylbutanoic acid 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-(Benzylsulfanyl)-3-methylbutanoic acid (CAS 1016686-85-3), 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-(Benzylsulfanyl)-3-methylbutanoic acid (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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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.

As a certified reference material (CRM), 2-(Benzylsulfanyl)-3-methylbutanoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

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.)1988
Sulfur Atoms1

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