3-Chloro-5-methyl-2-oxohexanoic acid CAS 90012-68-3
| CAS No. | 90012-68-3 |
| Molecular Formula | C7H11ClO3 |
| Molecular Weight | 178.61 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-Chloro-5-methyl-2-oxohexanoic acid (CAS 90012-68-3) is a high-purity analytical reference standard with the molecular formula C7H11ClO3 and a molecular weight of 178.61 g/mol.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, 3-Chloro-5-methyl-2-oxohexanoic acid is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 178.61 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 Formula | C7H11ClO3 |
| Molecular Weight | 178.61 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | Cl-containing |
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