5-((3-(tert-Butyl)phenoxy)methyl)-1H-pyrazol-3(2H)-one CAS 61190-95-2
| CAS No. | 61190-95-2 |
| Molecular Formula | C14H18N2O2 |
| Molecular Weight | 246.30 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.
5-((3-(tert-Butyl)phenoxy)methyl)-1H-pyrazol-3(2H)-one (CAS 61190-95-2) is a high-purity analytical reference standard with the molecular formula C14H18N2O2 and a molecular weight of 246.30 g/mol.
Structurally, 5-((3-(tert-Butyl)phenoxy)methyl)-1H-pyrazol-3(2H)-one (C14H18N2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 246.30 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
As a certified reference material (CRM), 5-((3-(tert-Butyl)phenoxy)methyl)-1H-pyrazol-3(2H)-one 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 Formula | C14H18N2O2 |
| Molecular Weight | 246.30 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1974 |
| Nitrogen Atoms | 2 |
Recommended Standards
- 5-((2-(tert-Butyl)phenoxy)methyl)-1H-pyrazol-3(2H)-one (CAS 61190-94-1)
- 5-(4-Isopropoxyphenyl)cyclohexane-1,3-dione (CAS 762243-29-8)
- 4-Phenoxy-1,1'-biphenyl (CAS 3933-94-6)
- 5-(4-tert-Butyl-phenyl)-5-methyl-imidazolidine-2,4-dione (CAS 61344-30-7)
- 3-(4-(Methoxymethyl)phenyl)-2-methylpropanoic acid (CAS 1510166-64-9)
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