2-(Adamantan-1-ylthio)propanoic acid CAS 96196-77-9

Purity 97%+In StockPharmaceutical Standards
CAS No.96196-77-9
Molecular FormulaC13H20O2S
Molecular Weight240.36 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(Adamantan-1-ylthio)propanoic acid CAS 96196-77-9 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.

2-(Adamantan-1-ylthio)propanoic acid (CAS 96196-77-9) is a high-purity analytical reference standard with the molecular formula C13H20O2S and a molecular weight of 240.36 g/mol.

Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system, 2-(Adamantan-1-ylthio)propanoic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 240.36 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.

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 FormulaC13H20O2S
Molecular Weight240.36 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)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Sulfur Atoms1

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