4-(4-(Tert-butyl)phenyl)-2,2-dimethyl-4-oxobutanoic acid CAS 951893-29-1
| CAS No. | 951893-29-1 |
| Molecular Formula | C16H22O3 |
| Molecular Weight | 262.34 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.
4-(4-(Tert-butyl)phenyl)-2,2-dimethyl-4-oxobutanoic acid (CAS 951893-29-1) is a high-purity analytical reference standard with the molecular formula C16H22O3 and a molecular weight of 262.34 g/mol.
Structurally, 4-(4-(Tert-butyl)phenyl)-2,2-dimethyl-4-oxobutanoic acid (C16H22O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 262.34 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C16H22O3 |
| Molecular Weight | 262.34 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 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.) | 1987 |
Recommended Standards
- 3-Methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid (CAS 951893-74-6)
- 4-(4-Butylphenyl)-2,2-dimethyl-4-oxobutanoic acid (CAS 951893-41-7)
- 3,4-Dicyclohexylfuran-2,5-dione (CAS 51487-39-9)
- 4-(4-Hexylphenyl)-4-oxobutanoic acid (CAS 64779-08-4)
- Penicillin G procaine (CAS 54-35-3)
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- 7-Bromo-3-hydroxyindolin-2-one (CAS 1249058-34-1)
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- Semaglutide Impurity 192 (CAS CATO-C4X-2226192)
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