1-[4-(Methylthio)phenyl]-1,4-pentanedione CAS 189501-33-5
| CAS No. | 189501-33-5 |
| Molecular Formula | C12H14O2S |
| Molecular Weight | 222.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-[4-(Methylthio)phenyl]-1,4-pentanedione (CAS 189501-33-5) is a high-purity analytical reference standard with the molecular formula C12H14O2S and a molecular weight of 222.30 g/mol.
Based on its molecular formula C12H14O2S, 1-[4-(Methylthio)phenyl]-1,4-pentanedione contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 222.30 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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), 1-[4-(Methylthio)phenyl]-1,4-pentanedione 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 | C12H14O2S |
| Molecular Weight | 222.30 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2011 |
| Sulfur Atoms | 1 |
Related Methylthio Standards
- 1-(Methylthio)-3-phenylcyclobutane-1-carboxylic acid (CAS 1494292-33-9)
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Recommended Standards
- 2-(4,4-Dimethyl-1-piperidinyl)-3-fluoroaniline (CAS 1851999-38-6)
- (1-(2-Fluorobenzyl)piperidin-4-yl)methanamine (CAS 893755-04-9)
- rac Alminoprofen-d3 (CAS 1794977-21-1)
- [1-(3-Fluorobenzyl)piperidin-4-yl]methylamine (CAS 893755-07-2)
- 3'-(Aminomethyl)-[1,1'-biphenyl]-3-ol (CAS 862541-17-1)
- N-(5-amino-4-methylpyridin-2-yl)acetamide (CAS 475060-18-5)
- 4-Bromoadamantan-2-ol (CAS 19213-97-9)
- 3-(Thiazole-4-carboxamido)propanoic acid (CAS 1310203-32-7)
- [2-(1H-Benzimidazol-1-yl)ethyl]methylamine hydrochloride (CAS 1987680-86-3)
- 2-(Ethylthio)-5-methylthiophene (CAS 6522-11-8)
- 2-(tert-Butyl)-4-chlorooxazolo[4,5-c]pyridine-7-carbonitrile (CAS 1346447-42-4)
- (4-Cyclohexylthiophen-2-yl)boronic acid (CAS 2225181-06-4)
- 3-Chloro-N-(2,5-dimethylphenyl)benzo[b]thiophene-2-carboxamide (CAS 105577-07-9)
- Neuropeptide S (human) (CAS 412938-67-1)
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