5,5-Dimethyl-2-(3-oxobutyl)cyclohexane-1,3-dione CAS 19757-98-3
| CAS No. | 19757-98-3 |
| Molecular Formula | C12H18O3 |
| Molecular Weight | 210.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5,5-Dimethyl-2-(3-oxobutyl)cyclohexane-1,3-dione (CAS 19757-98-3), molecular formula C12H18O3 and molecular weight 210.27 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5,5-Dimethyl-2-(3-oxobutyl)cyclohexane-1,3-dione (C12H18O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 210.27 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
As a certified reference material (CRM), 5,5-Dimethyl-2-(3-oxobutyl)cyclohexane-1,3-dione meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C12H18O3 |
| Molecular Weight | 210.27 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1962 |
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- 1-(4-Fluoro-2-nitrophenyl)piperidin-4-amine (CAS 952917-71-4)
- N-(4-fluoro-3-methylphenyl)tetrahydro-2H-thiopyran-3-amine (CAS 1343140-65-7)
- 3-Aminopropyl prop-2-enoate (CAS 91731-97-4)
- 3-(3-Chlorophenyl)-1-(4-chlorophenyl)propan-1-one (CAS 898762-62-4)
- 7-Amino-1H-indole-6-carbonitrile (CAS 1597147-40-4)
- 3-((3-Chlorobenzylidene)amino)quinazolin-4(3H)-one (CAS 95446-32-5)
- Liraglutide Impurity 15 TFA Salt (CAS CATO-C4X-199215)
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