4,4-Difluoro-3-methylbutanoic acid CAS 1785096-82-3
| CAS No. | 1785096-82-3 |
| Molecular Formula | C5H8F2O2 |
| Molecular Weight | 138.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4,4-Difluoro-3-methylbutanoic acid (CAS 1785096-82-3), molecular formula C5H8F2O2 and molecular weight 138.11 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4,4-Difluoro-3-methylbutanoic acid (C5H8F2O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 1.0, corresponding to approximately 1 ring(s) or double-bond equivalent(s). With a molecular weight of 138.11 g/mol, it falls into the low-molecular-weight range. 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.
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 | C5H8F2O2 |
| Molecular Weight | 138.11 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F-containing |
Related Difluoro Standards
- 4,4-Difluoro-2-methylbutanoic acid (CAS 1010422-68-0)
- 3,3-difluoro-2,2-dimethylpropanoic acid (CAS 1022154-50-2)
- 3,3-difluoro-2-methylbutanoic acid (CAS 1783699-15-9)
- [2,2-Difluoro-1-(hydroxymethyl)cyclopropyl]methanol (CAS 228580-15-2)
- 3,3-Difluoro-1-(hydroxymethyl)cyclobutan-1-ol (CAS 2231674-33-0)
- Methyl 3,3-difluoro-2-oxopropanoate (CAS 139704-68-0)
- 1,1-Difluoro-N,N,N',N'-tetramethylmethanediamine (CAS 1426-10-4)
- 2,2-Difluoro-N1,N1-dimethylpropane-1,3-diamine (CAS 1601859-07-7)
Recommended Standards
- 3,3-Difluoropentanoic acid (CAS 1783699-23-9)
- (1R,2R)-4,4-difluorocyclopentane-1,2-diol (CAS 1807938-95-9)
- methyl 4,4-difluorobutanoate (CAS 1866071-82-0)
- (4,4-difluorooxolan-3-yl)methanol (CAS 1780169-27-8)
- 2-Chloroaniline-4,6-d2 (CAS 347840-10-2)
- 4-Amino-3-(2,5-difluorophenyl)butanoic acid (CAS 1540885-50-4)
- 5-((Benzyloxy)methyl)-4-(tert-butoxy)-5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde (CAS 635319-12-9)
- Sodium 4-ethoxybenzenesulfonate hydrate (CAS 866761-58-2)
- 1-Ethyl-5-methyl-1h-1,2,3-triazol-4-amine (CAS 1528830-49-0)
- Ethyl 2-amino-4,6-dimethylnicotinate (CAS 51076-39-2)
- tert-Butyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate (CAS 179685-64-4)
- 10-oxa-4-azatricyclo[5.2.1.0²,⁶]decane (CAS 157182-65-5)
- 1-Cyclohexyl-3-ethoxyprop-2-en-1-one (CAS 16634-51-8)
- Des-Lys16-Tirzepatide (CAS CATO-CPTD788957)
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