Methyl acetylacetate
Based on 1 publication(s) in Google Scholar
Methyl acetylacetate is a chemical reagent used in the synthesis of pharmaceuticals for the synthesis of α-substituted acetoacetate and cyclic compounds such as pyrazole, pyrimidine, and coumarin derivatives. Methyl acetoacetate can be used in the study of inflammatory diseases.
For research use only. We do not sell to patients.
- Purity: 99.86%
- CAS No.: 105-45-3
- Formula: C5H8O3
- Molecular Weight:116.12
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Storage:
4°C, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
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Publications Citing Use of MedChemExpress (MCE) Methyl acetylacetate
MoreAll Endogenous Metabolite Isoforms
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Biological Activity
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Human Endogenous Metabolite |
Methyl acetoacetate does not induce binucleated cells with micronuclei when tested up to cytotoxic levels or the maximum concentration recommended in either non-activated or S9-activated test systems[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 105-45-3
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Appearance Liquid (Density: 1.077 g/cm3)
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Molecular Weight 116.12
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Formula C5H8O3
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Color Colorless to light yellow
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SMILES
CC(CC(OC)=O)=O
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Synonyms
Acetoacetate methyl ester; Methyl 3-oxobutanoate; Methyl acetoacetate
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Structure Classification
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Initial Source
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
4°C, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)
Publications (1)
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Journal Impact Factor
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Most Recent
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Front Cell Dev Biol
Licarin-B Exhibits Activity Against the Toxoplasma gondii RH Strain by Damaging Mitochondria and Activating Autophagy. [Abstract]2021 Jun 11:9:684393. PMID: 34179016
Solvent & Solubility
DMSO : 100 mg/mL (861.18 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
H2O : 100 mg/mL (861.18 mM; Need ultrasonic)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (21.53 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (21.53 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Working solution concentration: 0.22 mg/mL
This product has good water solubility, please refer to the measured solubility data in water/PBS/Saline for details.
Purity & Documentation
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Data Sheet (273 KB)
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SDS (416 KB)
- English - EN (416 KB)
- Français - FR (416 KB)
- Deutsch - DE (416 KB)
- Norwegian - NO (416 KB)
- Español - ES (416 KB)
- Swedish - SV (416 KB)
- Italian - IT (416 KB)
- Korean - KR (416 KB)
- Portuguese - PT (416 KB)
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Handling Instructions (2659 KB)
References
[2]. Api AM, et al. RIFM fragrance ingredient safety assessment, methyl acetoacetate, CAS Registry Number 105-45-3. Food Chem Toxicol. 2019 Dec;134 Suppl 1:110615. [Content Brief]
[3]. Tozkoparan B, et al. Synthesis and anti-inflammatory activities of some thiazolo[3,2-a]pyrimidine derivatives. Farmaco. 1999 Sep 30;54(9):588-93. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO / H2O | 1 mM | 8.6118 mL | 43.0589 mL | 86.1178 mL | 215.2945 mL |
| 5 mM | 1.7224 mL | 8.6118 mL | 17.2236 mL | 43.0589 mL | |
| 10 mM | 0.8612 mL | 4.3059 mL | 8.6118 mL | 21.5295 mL | |
| 15 mM | 0.5741 mL | 2.8706 mL | 5.7412 mL | 14.3530 mL | |
| 20 mM | 0.4306 mL | 2.1529 mL | 4.3059 mL | 10.7647 mL | |
| 25 mM | 0.3445 mL | 1.7224 mL | 3.4447 mL | 8.6118 mL | |
| 30 mM | 0.2871 mL | 1.4353 mL | 2.8706 mL | 7.1765 mL | |
| 40 mM | 0.2153 mL | 1.0765 mL | 2.1529 mL | 5.3824 mL | |
| 50 mM | 0.1722 mL | 0.8612 mL | 1.7224 mL | 4.3059 mL | |
| 60 mM | 0.1435 mL | 0.7176 mL | 1.4353 mL | 3.5882 mL | |
| 80 mM | 0.1076 mL | 0.5382 mL | 1.0765 mL | 2.6912 mL | |
| 100 mM | 0.0861 mL | 0.4306 mL | 0.8612 mL | 2.1529 mL |
* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.
Methyl acetylacetate Related Classifications
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