(3aR,4S,7R,7aS)-rel-3a,4,7,7a-Tetrahydro-4-methyl-4,7-epoxyisobenzofuran-1,3-dione CAS 941-63-9
| CAS No. | 941-63-9 |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies (3aR,4S,7R,7aS)-rel-3a,4,7,7a-Tetrahydro-4-methyl-4,7-epoxyisobenzofuran-1,3-dione (CAS 941-63-9), a certified reference material (molecular formula C9H8O4, MW 180.16 g/mol) for analytical method development and quality control.
Structurally, (3aR,4S,7R,7aS)-rel-3a,4,7,7a-Tetrahydro-4-methyl-4,7-epoxyisobenzofuran-1,3-dione (C9H8O4) contains 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 180.16 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
As a certified reference material (CRM), (3aR,4S,7R,7aS)-rel-3a,4,7,7a-Tetrahydro-4-methyl-4,7-epoxyisobenzofuran-1,3-dione 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 | C9H8O4 |
| Molecular Weight | 180.16 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, 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.) | 1957 |
Recommended Standards
- (2S,3S,4S,5S,6S)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol (CAS 39281-67-9)
- (3R,4R,5R)-5-((R)-1,2-dihydroxyethyl)tetrahydrofuran-2,3,4-triol (CAS 40550-49-0)
- (2S,3S,4S,5S,6R)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol (CAS 7296-15-3)
- (3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol (CAS 2280-44-6)
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