Ethyl 2-(3-Ethoxy-2-oxo-3-cyclohexen-1-yl)-2-oxoacetate CAS 802541-12-4
| CAS No. | 802541-12-4 |
| Molecular Formula | C12H16O5 |
| Molecular Weight | 240.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 2-(3-Ethoxy-2-oxo-3-cyclohexen-1-yl)-2-oxoacetate (CAS 802541-12-4) is a high-purity analytical reference standard with the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol.
Based on its molecular formula C12H16O5, Ethyl 2-(3-Ethoxy-2-oxo-3-cyclohexen-1-yl)-2-oxoacetate 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 240.25 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
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 | C12H16O5 |
| Molecular Weight | 240.25 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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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.) | 1986 |
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Recommended Standards
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- 3-(tert-Butoxycarbonylamino)tetrahydrothiophene-3-carboxylic acid (CAS 108329-86-8)
- 4-(3-Azetidinyl)quinoline (CAS 1260869-41-7)
- 5-Isocyanato-2-methylpyridine (CAS 732245-99-7)
- (S)-2-(2-chlorophenyl)-2-(methylamino)ethan-1-ol (CAS 1213855-02-7)
- AChE-IN-23 (CAS 6297-14-9)
- Ethyl-2-chloro-2-[2-(2-chlorophenyl)hydrazin-1-ylidene]acetate (CAS 28317-49-9)
- endo-Arg30-Semaglutide (CAS CATO-C4X-2226281)
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