3-Mercaptohexyl butyrate CAS 136954-21-7

Purity 97%+In StockPharmaceutical Standards
CAS No.136954-21-7
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Mercaptohexyl butyrate CAS 136954-21-7 chemical structure

Description

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.

3-Mercaptohexyl butyrate (CAS 136954-21-7) is a high-purity analytical reference standard with the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol.

Structurally, 3-Mercaptohexyl butyrate (C10H20O2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 1.0, corresponding to approximately 1 ring(s) or double-bond equivalent(s). With a molecular weight of 204.33 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.

As a certified reference material (CRM), 3-Mercaptohexyl butyrate 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 FormulaC10H20O2S
Molecular Weight204.33 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)1.0
CAS Registry Year (est.)1996
Sulfur Atoms1

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