5-(Tert-butoxymethyl)cyclohexane-1,3-dione CAS 196819-95-1

Purity 97%+In StockPharmaceutical Standards
CAS No.196819-95-1
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(Tert-butoxymethyl)cyclohexane-1,3-dione CAS 196819-95-1 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 198.26 g/mol gives 5-(Tert-butoxymethyl)cyclohexane-1,3-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-(Tert-butoxymethyl)cyclohexane-1,3-dione (CAS 196819-95-1), molecular formula C11H18O3 and molecular weight 198.26 g/mol, is a CATO reference standard with documented purity and traceability.

5-(Tert-butoxymethyl)cyclohexane-1,3-dione (C11H18O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage. It is notably hygroscopic, 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.

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 FormulaC11H18O3
Molecular Weight198.26 g/mol
Purity97%+
StorageStore at 2-8°C, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)2013

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