trans-4-Fluorophenyl 4-ethylcyclohexanecarboxylate CAS 100633-61-2
| CAS No. | 100633-61-2 |
| Molecular Formula | C15H19FO2 |
| Molecular Weight | 250.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
trans-4-Fluorophenyl 4-ethylcyclohexanecarboxylate (CAS 100633-61-2) is a high-purity analytical reference standard with the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol.
Structurally, trans-4-Fluorophenyl 4-ethylcyclohexanecarboxylate (C15H19FO2) 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 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 250.31 g/mol, it falls into the medium-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 | C15H19FO2 |
| Molecular Weight | 250.31 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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.) | 1985 |
| Halogen Content | F-containing |
Related trans Standards
- N-[(4-fluorophenyl)methyl]-2-(piperidin-3-yl)acetamide (CAS 1284442-17-6)
- 1-(4-Fluorophenyl)-4-(piperazin-1-yl)butan-1-one (CAS 2560-31-8)
- 3-(1-(4-Fluorophenyl)cyclohexyl)propanoic acid (CAS 351343-83-4)
- N-(4-fluorophenyl)-3-(pyrrolidin-1-yl)butanamide (CAS 2560-30-7)
- 1-[(3-Fluorophenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carbothioamide (CAS 1707392-24-2)
- 2-(4-Fluorophenyl)-3-(thiophen-2-yl)propanoic acid (CAS 1017324-01-4)
- 1-((4-Fluorophenyl)sulfonyl)-3-methylbenzene (CAS 87787-49-3)
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- methyl 2-methylpiperidine-2-carboxylate (CAS 89115-93-5)
- N-(4-Thioureido-phenyl)-acetamide (CAS 1614-33-1)
- (S)-1-(6-bromopyridin-2-yl)ethan-1-amine hydrochloride (CAS 1415303-42-2)
- 2-(3-Chloro-phenyl)-2,6-dihydro-4h-thieno[3,4-c]pyrazol-3-ylamine (CAS 214542-51-5)
- 2-(((1-(tert-Butoxycarbonyl)piperidin-2-yl)methyl)amino)acetic acid (CAS 1353963-19-5)
- 2-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1,3-dione (CAS 217493-71-5)
- 2-(4-Carbamoylpiperidin-1-yl)-2-oxoacetic acid (CAS 1018242-94-8)
- Semaglutide impurity 233 (CAS CATO-C4X-2226233)
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