4-(4-tert-Butyl-2,6-dimethylphenyl)-4-oxobutyric acid CAS 951892-50-5
| CAS No. | 951892-50-5 |
| Molecular Formula | C16H22O3 |
| Molecular Weight | 262.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-(4-tert-Butyl-2,6-dimethylphenyl)-4-oxobutyric acid (CAS 951892-50-5), molecular formula C16H22O3 and molecular weight 262.34 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-(4-tert-Butyl-2,6-dimethylphenyl)-4-oxobutyric 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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
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
- 4-(4-Hexylphenyl)-4-oxobutanoic acid (CAS 64779-08-4)
- 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-phenylbutan-1-one (CAS 898785-40-5)
- 4-(4-Butylphenyl)-2,2-dimethyl-4-oxobutanoic acid (CAS 951893-41-7)
- 4,6-Dimethoxy-3-methyl-2-pentylbenzofuran (CAS 831171-01-8)
- (2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylic acid (CAS 237076-75-4)
- (3-Chloropyridin-4-yl)boronic acid hydrochloride (CAS 2377605-75-7)
- 5-Phenyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid (CAS 802258-88-4)
- 2-(4-Iodophenyl)naphthalene (CAS 1001337-33-2)
- 2-(Tert-butyl)-7-(piperazin-1-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CAS 516494-46-5)
- (S)-4-Methyl-5,5-diphenyloxazolidin-2-one (CAS 191090-29-6)
- 3-(Tert-butoxy)-N-methylpropan-1-amine (CAS 1248303-10-7)
- 1-(4-Hydroxy-3,5-dimethylphenyl)-2-((3-(trifluoromethyl)phenyl)sulfonyl)ethan-1-one (CAS 344279-52-3)
- 2-(Bromomethyl)-6-(difluoromethyl)-3-iodopyridine-5-methanol (CAS 1805432-55-6)
- FLAG Epitope Peptide (CAS 98849-88-8)
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