| CAS No. | 1136-23-8 |
| Molecular Formula | C21H31O2P2S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-(o-Tolyl)dihydro-2H-pyran-2,6(3H)-dione (CAS 1136-23-8), molecular formula C21H31O2P2SCl and molecular weight 444.94 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, a sulfone group, organophosphorus functionality, a hydroxyl group, an ether linkage, chlorine substitution, 3-(o-Tolyl)dihydro-2H-pyran-2,6(3H)-dione is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 444.94 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C21H31O2P2S Cl |
| Molecular Weight | 444.94 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |