(2S)-4,4,4-Trifluoro-2-methylbutanoic acid CAS 868666-12-0

Purity 97%+In StockPharmaceutical Standards
CAS No.868666-12-0
Molecular FormulaC5H7F3O2
Molecular Weight156.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(2S)-4,4,4-Trifluoro-2-methylbutanoic acid CAS 868666-12-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 156.10 g/mol gives (2S)-4,4,4-Trifluoro-2-methylbutanoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies (2S)-4,4,4-Trifluoro-2-methylbutanoic acid (CAS 868666-12-0), a certified reference material (molecular formula C5H7F3O2, MW 156.10 g/mol) for analytical method development and quality control.

Structurally, (2S)-4,4,4-Trifluoro-2-methylbutanoic acid (C5H7F3O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 1.0, corresponding to approximately 1 ring(s) or double-bond equivalent(s). With a molecular weight of 156.10 g/mol, it falls into the medium-molecular-weight range. 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.

As a certified reference material (CRM), (2S)-4,4,4-Trifluoro-2-methylbutanoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC5H7F3O2
Molecular Weight156.10 g/mol
Purity97%+
StorageStore at 2-8°C, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityContains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)1.0
CAS Registry Year (est.)1987
Halogen ContentF-containing

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