Benzyl (S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate CAS 226415-70-9
| CAS No. | 226415-70-9 |
| Molecular Formula | C11H11F3O3 |
| Molecular Weight | 248.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Benzyl (S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate (CAS 226415-70-9), molecular formula C11H11F3O3 and molecular weight 248.20 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Benzyl (S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate (C11H11F3O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 248.20 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 | C11H11F3O3 |
| Molecular Weight | 248.20 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2021 |
| Halogen Content | F-containing |
Recommended Standards
- Benzyl (R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate (CAS 250149-33-8)
- Ethyl 1-cyclopropyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate (CAS 950858-08-9)
- 5-DFUR-D2 (Doxifluridine-D2) (CAS 84258-25-3)
- Ethyl 2-(2-(trifluoromethyl)phenoxy)acetate (CAS 476155-15-4)
- 2-{1-Azabicyclo[2.2.2]octan-3-yl}acetic acid (CAS 38206-85-8)
- 3-Chloro-6,7-dimethoxyquinoxaline-2-carboxylic acid (CAS 122234-54-2)
- 2-Fluoro-4-nitrobenzaldehyde (CAS 157701-72-9)
- 2-Bromo-6-chloro-5-(difluoromethyl)-3-fluoropyridine (CAS 1806932-40-0)
- 1-Tosyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CAS 1027297-78-4)
- 4,5,6,7-Tetrahydro-1-benzothiophene-4-carboxylic acid (CAS 339056-48-3)
- Bexagliflozin Impurity 4 (CAS CATO-C4X-33224)
- Apalutamide Impurity 25 (CAS CATO-C4X-274925)
- 1-(2-Allyl-phenoxy)-3-piperazin-1-yl-propan-2-oldihydrochloride (CAS 1185304-87-3)
- Semaglutide impurity 22(OtBu-Ste-γGlu(OtBu)-AEEA-AEEA-OH) (CAS 1118767-16-0)
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