Methyl 5,5-dimethyl-2-oxocyclohex-3-enecarboxylate CAS 78661-00-4
| CAS No. | 78661-00-4 |
| Molecular Formula | C10H14O3 |
| Molecular Weight | 182.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Methyl 5,5-dimethyl-2-oxocyclohex-3-enecarboxylate.
Methyl 5,5-dimethyl-2-oxocyclohex-3-enecarboxylate (CAS 78661-00-4), molecular formula C10H14O3 and molecular weight 182.22 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C10H14O3, Methyl 5,5-dimethyl-2-oxocyclohex-3-enecarboxylate 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 182.22 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C10H14O3 |
| Molecular Weight | 182.22 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| 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.) | 1979 |
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- (Z)-4-((4-chloro-5H-1,2,3-dithiazol-5-ylidene)amino)benzonitrile (CAS 1164524-09-7)
- 1-(5-Bromo-2-fluorophenyl)pentan-1-one (CAS 1280786-93-7)
- Tirzepatide Impurity 59 (CAS CATO-C4X-324059)
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