Ethyl 2-(3-methoxy-6,6-dimethyl-2-oxocyclohex-3-en-1-yl)-2-oxoacetate CAS 802541-47-5

Purity 97%+In StockPharmaceutical Standards
CAS No.802541-47-5
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 2-(3-methoxy-6,6-dimethyl-2-oxocyclohex-3-en-1-yl)-2-oxoacetate CAS 802541-47-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 254.28 g/mol gives Ethyl 2-(3-methoxy-6,6-dimethyl-2-oxocyclohex-3-en-1-yl)-2-oxoacetate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Ethyl 2-(3-methoxy-6,6-dimethyl-2-oxocyclohex-3-en-1-yl)-2-oxoacetate (CAS 802541-47-5) is a high-purity analytical reference standard with the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol.

Based on its molecular formula C13H18O5, Ethyl 2-(3-methoxy-6,6-dimethyl-2-oxocyclohex-3-en-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 254.28 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 FormulaC13H18O5
Molecular Weight254.28 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986

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