3,3-Dimethyl-1-(m-tolylthio)butan-2-one CAS 1248211-38-2
| CAS No. | 1248211-38-2 |
| Molecular Formula | C13H18OS |
| Molecular Weight | 222.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3,3-Dimethyl-1-(m-tolylthio)butan-2-one (CAS 1248211-38-2) is a high-purity analytical reference standard with the molecular formula C13H18OS and a molecular weight of 222.35 g/mol.
Based on its molecular formula C13H18OS, 3,3-Dimethyl-1-(m-tolylthio)butan-2-one contains sulfur-containing functionality, a hydroxyl group, an ether linkage, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 222.35 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
Physical & Chemical Properties
| Molecular Formula | C13H18OS |
| Molecular Weight | 222.35 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.) | 1990 |
| Sulfur Atoms | 1 |
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