| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
The primary targets of 2',4'-Dimethylacetophenone are not well-defined, as it is primarily used as a research chemical and analytical standard. As an endogenous metabolite, it may interact with various metabolic pathways. The compound’s use in detecting aldosterone aroma suggests it may have applications in analytical chemistry and flavor research. These characteristics make it relevant for metabolomics and analytical chemistry research.
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|---|---|
| ln Vitro |
In vitro, 2',4'-Dimethylacetophenone is used as a research chemical and analytical standard. It is employed in gas chromatography methods for the detection of aldosterone aroma in tobacco compounds. The compound’s chemical properties, including its boiling point of 228°C and refractive index of 1.5346, are characterized for analytical applications. These in vitro activities support its use in analytical chemistry, metabolomics, and flavor research.
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| ln Vivo |
In vivo, 2',4'-Dimethylacetophenone is an endogenous metabolite found naturally within the body. However, its specific in vivo functions and metabolic roles have not been extensively characterized. The compound is not used as a therapeutic agent and does not have defined pharmacological effects in vivo. Further research is needed to elucidate its biological significance.
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| Enzyme Assay |
In vitro enzyme/receptor binding (cell-free) assays for 2',4'-Dimethylacetophenone are not typically conducted, as it is not a conventional enzyme inhibitor or receptor ligand. However, its metabolism can be studied using liver microsomes or recombinant enzymes. The compound is incubated with enzyme preparations at concentrations ranging from 0.1-1000 μM, and metabolite formation is monitored by GC-MS or LC-MS. All assays include appropriate controls and reference compounds.
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| Cell Assay |
In vitro cell-based assays for 2',4'-Dimethylacetophenone are limited, as the compound is primarily used as an analytical standard. Cytotoxicity studies may be performed to assess safety. Cells are treated with compound concentrations ranging from 0.1-1000 μM for 24-72 hours. Cell viability is assessed using MTT assays. All experiments include vehicle controls.
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| Animal Protocol |
In vivo animal studies with 2',4'-Dimethylacetophenone are limited, as the compound is primarily a research chemical. Pharmacokinetic and metabolism studies may be conducted in rodents. The compound is administered via oral or intravenous routes at doses ranging from 1-50 mg/kg. Plasma and urine samples are collected and analyzed by GC-MS or LC-MS. Each group consists of 6-10 animals with appropriate controls.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2',4'-Dimethylacetophenone have not been extensively characterized. As a small, lipophilic molecule, it is expected to have good oral bioavailability and tissue distribution. Metabolism likely occurs through oxidation of the methyl groups and the acetyl group, followed by conjugation and renal excretion. Detailed PK parameters require further investigation.
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| Toxicity/Toxicokinetics |
Toxicological data for 2',4'-Dimethylacetophenone are limited. No significant toxicity has been reported. As with all research chemicals, appropriate safety precautions should be taken during handling, including use of personal protective equipment and adequate ventilation.
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| Additional Infomation |
2',4'-Dimethylacetophenone is an aromatic ketone.
2',4'-Dimethylacetophenone is an aromatic ketone and endogenous metabolite used as a research chemical and analytical standard. It is used in gas chromatography for the detection of aldosterone aroma in tobacco compounds. The compound is not approved for therapeutic use and is intended for research and analytical purposes only. |
| Molecular Formula |
C₁₀H₁₂O
|
|---|---|
| Molecular Weight |
148.20
|
| Exact Mass |
148.088
|
| CAS # |
89-74-7
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| PubChem CID |
6985
|
| Appearance |
Colorless to yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
246.5±0.0 °C at 760 mmHg
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| Flash Point |
102.8±0.0 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.510
|
| LogP |
2.59
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
11
|
| Complexity |
151
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(C)C1C(C)=CC(C)=CC=1
|
| InChi Key |
HSDSKVWQTONQBJ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3
|
| Chemical Name |
1-(2,4-dimethylphenyl)ethanone
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| Synonyms |
2',4'Dimethylacetophenone; 2',4' Dimethylacetophenone
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~674.76 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.87 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (16.87 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (16.87 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.7476 mL | 33.7382 mL | 67.4764 mL | |
| 5 mM | 1.3495 mL | 6.7476 mL | 13.4953 mL | |
| 10 mM | 0.6748 mL | 3.3738 mL | 6.7476 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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