4-(5-Chloro-2-methylphenyl)-2-methylbut-3-yn-2-ol CAS 1187385-73-4
| CAS No. | 1187385-73-4 |
| Molecular Formula | C12H13ClO |
| Molecular Weight | 208.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-(5-Chloro-2-methylphenyl)-2-methylbut-3-yn-2-ol (CAS 1187385-73-4), molecular formula C12H13ClO and molecular weight 208.68 g/mol, is a CATO reference standard with documented purity and traceability.
4-(5-Chloro-2-methylphenyl)-2-methylbut-3-yn-2-ol (C12H13ClO) contains a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
Physical & Chemical Properties
| Molecular Formula | C12H13ClO |
| Molecular Weight | 208.68 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Cl-containing |
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