(3aR,7R,7aR)-3a,6,7,7a-Tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-methyl ester 1,3-benzodioxole-5-carboxylic acid CAS 208720-46-1
| CAS No. | 208720-46-1 |
| Molecular Formula | C12H18O7S |
| Molecular Weight | 306.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 306.33 g/mol gives (3aR,7R,7aR)-3a,6,7,7a-Tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-methyl ester 1,3-benzodioxole-5-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies (3aR,7R,7aR)-3a,6,7,7a-Tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-methyl ester 1,3-benzodioxole-5-carboxylic acid (CAS 208720-46-1), a certified reference material (molecular formula C12H18O7S, MW 306.33 g/mol) for analytical method development and quality control.
Structurally, (3aR,7R,7aR)-3a,6,7,7a-Tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-methyl ester 1,3-benzodioxole-5-carboxylic acid (C12H18O7S) 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 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 306.33 g/mol, it falls into the moderately-high-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).
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), (3aR,7R,7aR)-3a,6,7,7a-Tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-methyl ester 1,3-benzodioxole-5-carboxylic 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 | C12H18O7S |
| Molecular Weight | 306.33 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2016 |
| Sulfur Atoms | 1 |
Recommended Standards
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