rel-(3aS,6R,7aS)-6-Ethyl-1-oxo-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylic acid CAS 66322-23-4
| CAS No. | 66322-23-4 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 208.25 g/mol gives rel-(3aS,6R,7aS)-6-Ethyl-1-oxo-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies rel-(3aS,6R,7aS)-6-Ethyl-1-oxo-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylic acid (CAS 66322-23-4), a certified reference material (molecular formula C12H16O3, MW 208.25 g/mol) for analytical method development and quality control.
Based on its molecular formula C12H16O3, rel-(3aS,6R,7aS)-6-Ethyl-1-oxo-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylic acid contains 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 208.25 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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), rel-(3aS,6R,7aS)-6-Ethyl-1-oxo-2,3,3a,6,7,7a-hexahydro-1H-indene-4-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 | C12H16O3 |
| Molecular Weight | 208.25 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1975 |
Recommended Standards
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- tert-Butyl 2-(2-hydroxyphenyl)acetate (CAS 258331-10-1)
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- Tert-butyl 3-(4-(dimethylamino)phenyl)-3-oxopropanoate (CAS 138714-61-1)
- tert-Butyl (2S,3S)-3-(((tert-butyldiphenylsilyl)oxy)methyl)pyrrolidine-2-carboxylate (CAS 191328-29-7)
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