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| Other Sizes |
| Targets |
2-Ethylbutyric acid has been shown to have several potential biological targets. It exhibits significant inhibitory activity against Glycogen synthase kinase-3 beta (GSK3-beta). It has also been reported to reduce the activity of inflammatory bowel disease and may have anti-inflammatory properties. Furthermore, it has physiological effects on gamma-aminobutyric acid (GABA) levels in the brain and energy metabolism.
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| ln Vitro |
In vitro, 2-Ethylbutyric acid demonstrates significant biochemical activity. It inhibits GSK3-beta, with a reduction to 56.1% of control levels at concentrations of 0.5 mM and 4 mM. In human hepatocytes, it shows a bioactivity of 67.0% in a propionic acidemia model at 100 µM. It also exhibits phytotoxicity in seed germination bioassays.
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| ln Vivo |
In vivo, 2-Ethylbutyric acid has been studied for its toxicological and physiological effects. A reproductive/developmental oral study in rats produced increased kidney weights without corresponding histopathology. Its effects on GABA and energy metabolism suggest potential for central nervous system activity, though its primary use remains as an analytical standard and research tool.
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| Enzyme Assay |
The in vitro enzyme assay for GSK3-beta inhibition involves incubating the enzyme with a specific peptide substrate and ATP in the presence of varying concentrations of 2-Ethylbutyric acid. The amount of phosphorylated substrate is measured using a luminescent or fluorescent detection system, and the IC50 value is calculated from the dose-response curve.
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| Cell Assay |
In vitro cell-based assays for 2-Ethylbutyric acid are not standard. Studies have used human hepatocytes derived from propionic acidemia patients to assess its bioactivity. In these assays, cells are treated with the compound, and metabolic activity is measured using MS/MS analysis to assess its effects on cellular metabolism, providing an EC50 value.
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| Animal Protocol |
In vivo animal experiments for 2-Ethylbutyric acid are primarily toxicological. Studies such as the OECD-recommended reproductive/developmental toxicity test in rats involve administering the compound orally to pregnant rats and assessing effects on both the dams and their offspring, including organ weights and histopathology.
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| ADME/Pharmacokinetics |
2-Ethylbutyric acid is a lipophilic compound with a LogP of 1.68. It is soluble in organic solvents like DMSO and ethanol, with a pKa of 4.75. In vivo, it is rapidly absorbed and metabolized, primarily through β-oxidation pathways. It can be detected in blood and urine, and its levels are used as biomarkers for certain metabolic disorders.
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| Toxicity/Toxicokinetics |
The compound has low acute toxicity. It is considered safe when used as a flavoring agent in food. However, it is a volatile fatty acid and can be an irritant. In animal studies, high doses have been associated with increased kidney weights, though without histopathological changes, indicating a potential adaptive rather than toxic effect. It is not mutagenic in the Ames test.
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| References | |
| Additional Infomation |
2-Ethylbutyric acid is a branched-chain fatty acid. It has been reported that 2-ethylbutyric acid is found in geraniums and tobacco, and relevant data is available for reference.
2-Ethylbutyric acid is a versatile chemical intermediate used in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. Its primary role in research is as a high-purity internal standard for calibrating analytical instruments in studies of metabolism and gut microbiome health, particularly for the quantification of short-chain fatty acids in biological samples. |
| Molecular Formula |
C6H12O2
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|---|---|
| Molecular Weight |
116.15828
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| Exact Mass |
116.083
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| CAS # |
88-09-5
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| PubChem CID |
6915
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| Appearance |
Colorless to light yellow liquid
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
195.4±8.0 °C at 760 mmHg
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| Melting Point |
-14 °C
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| Flash Point |
87.8±0.0 °C
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| Vapour Pressure |
0.2±0.8 mmHg at 25°C
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| Index of Refraction |
1.425
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| LogP |
1.66
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
8
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| Complexity |
74.6
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C(CC)CC)O
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| InChi Key |
OXQGTIUCKGYOAA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
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| Chemical Name |
2-ethylbutanoic acid
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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 (~860.88 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (21.52 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 (21.52 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 (21.52 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 | 8.6088 mL | 43.0441 mL | 86.0882 mL | |
| 5 mM | 1.7218 mL | 8.6088 mL | 17.2176 mL | |
| 10 mM | 0.8609 mL | 4.3044 mL | 8.6088 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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