5-(5,5-Dimethyl-1,3-dioxan-2-yl)-2-trifluoromethylvalerophenone CAS 898786-67-9
| CAS No. | 898786-67-9 |
| Molecular Formula | C18H23F3O3 |
| Molecular Weight | 344.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-2-trifluoromethylvalerophenone (CAS 898786-67-9), a certified reference material (molecular formula C18H23F3O3, MW 344.37 g/mol) for analytical method development and quality control.
The molecular framework of 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-2-trifluoromethylvalerophenone (C18H23F3O3) is characterized by a steroid core, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C18H23F3O3 |
| Molecular Weight | 344.37 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
Related Dimethyl Standards
- 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-4-trifluoromethylvalerophenone (CAS 898786-71-5)
- 898786-69-1 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-one DTXSID60645951 (CAS 898786-69-1)
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- Dimethyl-[6-(3-pyrimidin-4-yl-phenyl)-4-trifluoromethyl-pyridin-2-yl]-amine (CAS 1311279-40-9)
- Dimethyl-[6-(4-pyrimidin-4-yl-phenyl)-4-trifluoromethyl-pyridin-2-yl]-amine (CAS 1311279-44-3)
Recommended Standards
- 5-(2-Amino-6-(4-methoxyphenyl)pyrimidin-4-yl)quinolin-8-ol (CAS 833488-16-7)
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- 5-[(2-amino-1-methyl-propyl)amino]-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione (CAS 2703760-23-8)
- 4-amino-N-[2-(2,6-dioxo-3-piperidyl)-1-oxo-isoindolin-4-yl]butanamide (CAS 2353563-41-2)
- 2-Methyl-5-((octyloxy)methyl)quinolin-8-ol (CAS 141704-26-9)
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- N-(6-methoxynaphthalen-1-yl)acetamide (CAS 55346-60-6)
- n-[4-amino-3-(trifluoromethyl)phenyl]benzamide (CAS 736-02-7)
- Methyl 3,4-dihydro-2h-1,4-benzoxazine-8-carboxylate hydrochloride (CAS 1423033-34-4)
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- Triethyl(trifluoromethyl)silane (CAS 120120-26-5)
- Autoinducing Peptide I trifluoroacetate salt (CAS 200010-29-3)
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