3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfinyl)propanoic acid CAS 1333887-32-3
| CAS No. | 1333887-32-3 |
| Molecular Formula | C12H14O5S |
| Molecular Weight | 270.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfinyl)propanoic acid (C12H14O5S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 270.30 g/mol, it falls into the medium-molecular-weight range. 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).
3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfinyl)propanoic acid (CAS 1333887-32-3), molecular formula C12H14O5S and molecular weight 270.30 g/mol, is a CATO reference standard with documented purity and traceability.
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.
As a certified reference material (CRM), 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfinyl)propanoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C12H14O5S |
| Molecular Weight | 270.30 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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.) | 1991 |
| Sulfur Atoms | 1 |
Related dihydro Standards
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Recommended Standards
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- 1-(2-Chloro-4-fluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one (CAS 898778-42-2)
- 2-((3,5-Dimethylbenzyl)amino)propane-1,3-diol (CAS 1487176-55-5)
- Tirzepatide-d7 Ditrifluoroacetate (CAS CATO-CPTD788698)
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