(3S,3AR,7R,7aS)-3-ethoxy-2,7-dimethyloctahydro-1H-isoindol-1-one CAS 116072-14-1
| CAS No. | 116072-14-1 |
| Molecular Formula | C12H21NO2 |
| Molecular Weight | 211.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(3S,3AR,7R,7aS)-3-ethoxy-2,7-dimethyloctahydro-1H-isoindol-1-one (C12H21NO2) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. Its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
(3S,3AR,7R,7aS)-3-ethoxy-2,7-dimethyloctahydro-1H-isoindol-1-one (CAS 116072-14-1) is a high-purity analytical reference standard with the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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.
Physical & Chemical Properties
| Molecular Formula | C12H21NO2 |
| Molecular Weight | 211.30 g/mol |
| Appearance | White to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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 |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1990 |
| Nitrogen Atoms | 1 |
Recommended Standards
- n-(2-Fluorophenyl)tetrahydro-2h-thiopyran-4-amine (CAS 1156987-19-7)
- (3R,3AS,5R,7aR)-3-ethoxy-2,5-dimethyloctahydro-1H-isoindol-1-one (CAS 116072-16-3)
- n-[2-(piperazin-1-yl)ethyl]cyclobutanecarboxamide (CAS 1153458-23-1)
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