| Size | Price | Stock | Qty |
|---|---|---|---|
| 10g |
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| Other Sizes |
| Targets |
2-Methylheptanoic acid does not have a specific biological target as a therapeutic agent. As a branched-chain fatty acid and chemical intermediate, it is not typically evaluated for receptor binding or enzyme inhibition. However, branched-chain fatty acids may interact with metabolic enzymes involved in lipid metabolism. The compound is primarily used in industrial applications rather than as a pharmacological agent.
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|---|---|
| ln Vitro |
2-Methylheptanoic acid is a branched-chain fatty acid used as a chemical intermediate. It is characterized by its seven-carbon backbone and a methyl substitution at the second carbon position. The compound is used in the production of surfactants and lubricants. It also serves as a flavoring agent with FEMA number 2706. As a carboxylic acid, it can participate in esterification, amidation, and other organic transformations to produce various derivatives for industrial and research applications.
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| ln Vivo |
No in vivo activity data are documented for 2-Methylheptanoic acid. As an industrial chemical and flavoring agent, it is not evaluated for pharmacological effects in animal models. The compound may be metabolized by β-oxidation pathways in vivo, similar to other fatty acids. For safety assessment, standard toxicological studies may have been conducted for its use as a flavoring ingredient. The compound is listed as a flavoring substance by regulatory agencies.
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| Enzyme Assay |
In vitro enzyme assays are not typically performed for 2-Methylheptanoic acid as it is not a drug candidate. For related fatty acid metabolism studies, the compound could be evaluated as a substrate for fatty acid-metabolizing enzymes such as acyl-CoA synthetases or cytochrome P450 enzymes. Standard assays involve incubating the compound with the enzyme of interest in appropriate buffer systems and measuring product formation by HPLC or mass spectrometry. The compound is more commonly used as a reference standard or chemical intermediate rather than as a test compound in biological assays.
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| Cell Assay |
No cell-based assay protocols are documented for 2-Methylheptanoic acid. As an industrial chemical, it is not typically evaluated in cell-based pharmacological assays. For toxicity screening, standard cell viability assays (e.g., MTT, CCK-8) could be performed using mammalian cell lines treated with varying concentrations of the compound for 24-72 hours. Cytotoxicity (IC50) would be determined. However, such studies are not commonly reported in the literature for this compound. The primary use is as a chemical intermediate and flavoring agent.
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| Animal Protocol |
No animal studies are documented for 2-Methylheptanoic acid as a therapeutic agent. For safety assessment, standard toxicological studies may have been conducted for regulatory approval as a flavoring ingredient. These may include acute oral toxicity studies in rodents, skin and eye irritation studies, and repeated-dose toxicity studies. The compound is considered safe for use as a flavoring agent at the levels typically employed in food products. The compound is listed with FEMA number 2706, indicating it has been evaluated for safety as a flavoring substance.
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| ADME/Pharmacokinetics |
2-Methylheptanoic acid has a molecular weight of 144.21 and a density of 0.906 g/mL. It has a boiling point of 140°C at 30 mmHg. The compound is a colorless to pale yellow liquid with a characteristic odor. It is slightly soluble in water but soluble in organic solvents such as ethanol, ether, and chloroform. The compound has a LogP of approximately 2.9, indicating moderate lipophilicity. It should be stored in a cool, dry place away from oxidizing agents. The compound is stable under normal storage conditions.
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| Toxicity/Toxicokinetics |
No specific toxicity data are documented for 2-Methylheptanoic acid. As a flavoring agent with FEMA number 2706, the compound has been evaluated for safety by regulatory agencies. It is generally recognized as safe (GRAS) when used as a flavoring ingredient at appropriate levels. Standard safety precautions should be observed when handling the compound, including the use of personal protective equipment (gloves, safety goggles, lab coat) and adequate ventilation. Avoid ingestion, inhalation, and skin contact. The compound may cause skin and eye irritation.
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| Additional Infomation |
2-Methylheptanoic acid is a medium-chain fatty acid.
2-Methylheptanoic acid is also known as methylamylacetic acid. It has the CAS number 1188-02-9 and EC number 214-704-2. The compound is a branched-chain fatty acid that is used as a flavoring agent (FEMA 2706), as well as in the production of surfactants and lubricants. It is also used as a chemical intermediate in various organic synthesis applications. The compound is commercially available from chemical suppliers and is intended for research and industrial use. It is not approved for human therapeutic use. |
| Molecular Formula |
C8H16O2
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|---|---|
| Molecular Weight |
144.2114
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| Exact Mass |
144.115
|
| CAS # |
1188-02-9
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| PubChem CID |
14475
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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 |
234.6±8.0 °C at 760 mmHg
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| Melting Point |
15.00 °C. @ 760.00 mm Hg
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| Flash Point |
116.6±6.9 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.435
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| LogP |
2.72
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| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
10
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| Complexity |
99.4
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O
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| InChi Key |
NKBWMBRPILTCRD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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| Chemical Name |
2-methylheptanoic 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 (~693.43 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (17.34 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 (17.34 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 (17.34 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 | 6.9343 mL | 34.6717 mL | 69.3433 mL | |
| 5 mM | 1.3869 mL | 6.9343 mL | 13.8687 mL | |
| 10 mM | 0.6934 mL | 3.4672 mL | 6.9343 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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