| Size | Price | Stock | Qty |
|---|---|---|---|
| 10g |
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| Other Sizes |
| Targets |
Ethyl acetoacetate's mechanism of action in biological systems involves its ability to inhibit bacterial biofilm formation. Its unique chemical structure facilitates its role in impairing the ability of bacteria to adhere and form protective biofilms. Chemically, its reactivity is due to the presence of both keto and ester functionalities, which allow it to participate in keto-enol tautomerism and act as a nucleophile or electrophile.
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|---|---|
| ln Vitro |
In vitro, ethyl acetoacetate has been shown to inhibit bacterial biofilm formation. It is a valuable research tool for studying microbial resistance and infection control. Its activity is typically assessed using biofilm assays, where bacterial cultures are grown in the presence of the compound and biofilm formation is quantified by crystal violet staining.
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| ln Vivo |
Ethyl acetoacetate is not used as a therapeutic agent in vivo. Its primary applications are in the chemical industry as a synthetic intermediate and as a research tool for studying biofilm formation. It is also used as a fuel additive to improve the cold flow properties of biodiesel.
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| Enzyme Assay |
Non-cellular assays for ethyl acetoacetate are chemical in nature. Its reactivity as a nucleophile or electrophile can be studied in various chemical reactions. Its ability to inhibit biofilm formation is typically assessed in bacterial cultures rather than in cell-free systems.
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| Cell Assay |
In vitro cellular assays for ethyl acetoacetate involve treating bacterial cultures with the compound and assessing its effects on biofilm formation. Bacteria are grown in 96-well plates in the presence of varying concentrations of ethyl acetoacetate. After incubation, the plates are stained with crystal violet, and the amount of biofilm is quantified by measuring absorbance at 595 nm.
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| Animal Protocol |
In vivo animal experiments are not applicable for ethyl acetoacetate, as it is not a therapeutic agent. It is a chemical reagent and synthetic intermediate. Its safety and toxicity have been evaluated in the context of its use as a food additive and industrial chemical.
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| ADME/Pharmacokinetics |
Ethyl acetoacetate has a molecular weight of 130.14 and a molecular formula of C₆H₁₀O₃. It is a colorless to pale yellow liquid with a fruity odor. The compound is typically stored at room temperature in a tightly closed container. It is soluble in organic solvents and is stable under normal storage conditions.
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| Toxicity/Toxicokinetics |
Ethyl acetoacetate is generally considered to have low toxicity. It may cause skin, eye, and respiratory irritation. Standard laboratory safety precautions should be followed when handling the compound. It is combustible and should be kept away from heat and open flames.
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| Additional Infomation |
Ethyl acetoacetate is a colorless liquid with a fruity aroma. Flash point: 185°F (85°C). Boiling point: 365°F (185°C). Ingestion or inhalation may have adverse health effects. It may irritate the skin, eyes, and mucous membranes. It is used in organic synthesis, as well as in varnishes and coatings. Ethyl acetoacetate is an ethyl ester formed by the condensation of the carboxyl group of acetoacetic acid with ethanol. It can be used as a flavoring agent, antibacterial agent, and plant metabolite. Its function is related to acetoacetic acid. Ethyl acetoacetate has been reported to be present in mangoes (Mangifera indica), and relevant data are available.
Ethyl acetoacetate (CAS 141-97-9) is a beta-keto ester used as a chemical intermediate in organic synthesis. It has been studied for its ability to inhibit bacterial biofilm formation. It is a valuable research tool for studying microbial resistance and infection control. It is also used as a fuel additive. |
| Molecular Formula |
C6H10O3
|
|---|---|
| Molecular Weight |
130.14
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| Exact Mass |
130.062
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| CAS # |
141-97-9
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| Related CAS # |
Ethyl acetoacetate-d3;1565868-21-4;Ethyl acetoacetate-13C4;84508-55-4;Ethyl acetoacetate-d5;55514-60-8;Ethyl acetoacetate-13C;61973-42-0
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| PubChem CID |
8868
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| Appearance |
COLORLESS LIQUID
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
180.6±8.0 °C at 760 mmHg
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| Melting Point |
−43 °C(lit.)
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| Flash Point |
67.0±18.5 °C
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| Vapour Pressure |
0.9±0.3 mmHg at 25°C
|
| Index of Refraction |
1.408
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| LogP |
0.72
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
9
|
| Complexity |
118
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C(C([H])([H])C(C([H])([H])[H])=O)=O)C([H])([H])C([H])([H])[H]
|
| InChi Key |
XYIBRDXRRQCHLP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
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| Chemical Name |
ethyl 3-oxobutanoate
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| Synonyms |
NSC-8657; NSC 8657; Ethyl acetoacetate
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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) |
H2O : ~100 mg/mL (~768.40 mM)
DMSO : ~100 mg/mL (~768.40 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.21 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 (19.21 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 (19.21 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 | 7.6840 mL | 38.4202 mL | 76.8403 mL | |
| 5 mM | 1.5368 mL | 7.6840 mL | 15.3681 mL | |
| 10 mM | 0.7684 mL | 3.8420 mL | 7.6840 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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