| CAS No. | 138522-73-3 |
| Molecular Formula | C12H16OS |
| Molecular Weight | 208.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 3-Methyl-1-(p-tolylthio)butan-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.
3-Methyl-1-(p-tolylthio)butan-2-one (CAS 138522-73-3), molecular formula C12H16OS and molecular weight 208.32 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-Methyl-1-(p-tolylthio)butan-2-one (C12H16OS) is characterized by sulfur-containing functionality, 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 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.
| Molecular Formula | C12H16OS |
| Molecular Weight | 208.32 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | Stable under recommended storage conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Sulfur Atoms | 1 |