| Size | Price | Stock | Qty |
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| 10mg |
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| 100mg |
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| 250mg | |||
| 500mg | |||
| Other Sizes |
| Targets |
Methyl 2-hydroxy-4-methylvalerate does not have a specific, well-defined pharmacological target. It is a flavor compound and is not considered a therapeutic agent. Its biological activity is related to its role as a volatile compound and a metabolite produced by microorganisms during fermentation.
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|---|---|
| ln Vitro |
In vitro, methyl 2-hydroxy-4-methylvalerate is studied primarily for its chemical properties as a volatile flavor compound. Its concentration and presence are analyzed using techniques like gas chromatography-mass spectrometry (GC-MS) to understand the flavor profile of fermented products and the metabolic pathways of the microbiota involved.
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| ln Vivo |
Methyl 2-hydroxy-4-methylvalerate is not used as a therapeutic agent in vivo. Its relevance is in the context of food science and microbiology, where it is produced by microorganisms. Its presence in vivo would be as a result of dietary intake or microbial metabolism.
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| Enzyme Assay |
Non-cellular assays for methyl 2-hydroxy-4-methylvalerate are analytical. It is identified and quantified in complex mixtures like vinegar using gas chromatography-mass spectrometry (GC-MS). Its sensory threshold (near 73 µg/L) can be determined through sensory evaluation panels.
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| Cell Assay |
Methyl 2-hydroxy-4-methylvalerate is not typically used in standard pharmacological cellular assays. Its effects on cells are not well-characterized, as its primary value is as a flavor compound and a marker for microbial metabolism, not as a bioactive molecule.
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| Animal Protocol |
In vivo animal experiments with methyl 2-hydroxy-4-methylvalerate are not commonly performed. As a flavor compound, its metabolism and excretion could be studied, but it is not a compound of major pharmacological interest.
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| ADME/Pharmacokinetics |
Methyl 2-hydroxy-4-methylvalerate has a molecular weight of 146.18. It is soluble in DMSO at 100 mg/mL. Its pharmacokinetic properties are not well-characterized as it is not a drug. The compound is typically stored at room temperature.
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| Toxicity/Toxicokinetics |
Methyl 2-hydroxy-4-methylvalerate is considered to have low toxicity as it is a naturally occurring flavor compound found in food. It is not used as a therapeutic agent. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
DL-leucine methyl ester is a fatty acid ester. It has been reported that papaya contains methyl 2-hydroxy-4-methylvalerate, and relevant data is available.
Methyl 2-hydroxy-4-methylvalerate is a dominant volatile compound in Zhenjiang aromatic vinegar. It is used to map the flavor biosynthetic network of vinegar microbiota. It is also known as methyl 2-hydroxyisovalerate. |
| Molecular Formula |
C₇H₁₄O₃
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|---|---|
| Molecular Weight |
146.18
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| Exact Mass |
146.094
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| CAS # |
40348-72-9
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| PubChem CID |
62908
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.002 ± 0.06 g/cm3
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| Boiling Point |
72 (10 mm Hg)，181.6ºC at 760 mmHg
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| Flash Point |
150.00 °F. TCC ( 65.56ºC. )
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| Index of Refraction |
1.43
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| LogP |
0.566
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
10
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| Complexity |
109
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C([H])(C(=O)OC([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
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| InChi Key |
JOSNYUDSMPILKL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H14O3/c1-5(2)4-6(8)7(9)10-3/h5-6,8H,4H2,1-3H3
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| Chemical Name |
methyl 2-hydroxy-4-methylpentanoate
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| Synonyms |
Methyl 2hydroxy4methylvalerate; Methyl 2 hydroxy 4 methylvalerate
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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 (~684.09 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (17.10 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 (17.10 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 (17.10 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 | 6.8409 mL | 34.2044 mL | 68.4088 mL | |
| 5 mM | 1.3682 mL | 6.8409 mL | 13.6818 mL | |
| 10 mM | 0.6841 mL | 3.4204 mL | 6.8409 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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