1,1,1-Trichloro-2-methylpropan-2-yl 2-hydroxybenzoate CAS 94006-13-0

Purity 97%+In StockPharmaceutical Standards
CAS No.94006-13-0
Molecular FormulaC11H11Cl3O3
Molecular Weight297.56 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1,1,1-Trichloro-2-methylpropan-2-yl 2-hydroxybenzoate CAS 94006-13-0 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 1,1,1-Trichloro-2-methylpropan-2-yl 2-hydroxybenzoate.

CATO supplies 1,1,1-Trichloro-2-methylpropan-2-yl 2-hydroxybenzoate (CAS 94006-13-0), a certified reference material (molecular formula C11H11Cl3O3, MW 297.56 g/mol) for analytical method development and quality control.

Based on its molecular formula C11H11Cl3O3, 1,1,1-Trichloro-2-methylpropan-2-yl 2-hydroxybenzoate contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 297.56 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 FormulaC11H11Cl3O3
Molecular Weight297.56 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1983
Halogen ContentCl-containing

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