6-(tert-Butyl)octahydro-2H-chromen-2-one CAS 21197-51-3

Purity 97%+In StockPharmaceutical Standards
CAS No.21197-51-3
Molecular FormulaC2Cl9P
Molecular Weight374.07 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6-(tert-Butyl)octahydro-2H-chromen-2-one CAS 21197-51-3 chemical structure

Description

The occurrence of 6-(tert-Butyl)octahydro-2H-chromen-2-one is closely related to organophosphorus functionality, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

6-(tert-Butyl)octahydro-2H-chromen-2-one (CAS 21197-51-3) is a high-purity analytical reference standard with the molecular formula C2Cl9P and a molecular weight of 374.07 g/mol.

The molecular framework of 6-(tert-Butyl)octahydro-2H-chromen-2-one (C2Cl9P) is characterized by organophosphorus functionality, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC2Cl9P
Molecular Weight374.07 g/mol
Purity97%+
StorageStore at room temperature
Solubility (reference)Soluble in methanol, acetonitrile, DMSO
StabilityStable under recommended storage conditions
Degree of Unsaturation (DBE)-1.5
CAS Registry Year (est.)1963
Halogen ContentCl-containing

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