3-((Phenylsulfonyl)methyl)pentane-2,4-dione CAS 339098-80-5
| CAS No. | 339098-80-5 |
| Molecular Formula | C12H14O4S |
| Molecular Weight | 254.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-((Phenylsulfonyl)methyl)pentane-2,4-dione 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.
3-((Phenylsulfonyl)methyl)pentane-2,4-dione (CAS 339098-80-5), molecular formula C12H14O4S and molecular weight 254.30 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C12H14O4S, 3-((Phenylsulfonyl)methyl)pentane-2,4-dione contains a sulfone group, a carboxylic acid group, 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 254.30 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 Formula | C12H14O4S |
| Molecular Weight | 254.30 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Sulfur Atoms | 1 |
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- N-Acetyl-D-glucosamine 1-phosphate (CAS 6866-69-9)
- Hexakis[μ-(acetato-O:O')]-triaqua-μ3-oxotriruthenium(III) (CAS 38998-79-7)
- Propofol EP Impurity E (CAS 2416-95-7)
- 1,3-Bis((S)-2,2-dimethyl-1-(o-tolyl)propyl)-4,5-dihydro-1H-imidazol-3-ium iodide (CAS 1237025-59-0)
- 3-(Bromomethyl)-2-fluoro-1,1′-biphenyl (CAS 82617-48-9)
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- Semaglutide impurity 39 (CAS CATO-C4X-222639)
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