| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Ethyl 2-methylpentanoate does not have a defined biological target as a therapeutic agent. As a fatty acid ester, its primary applications are as a flavoring agent and as a research chemical. The compound is not intended to exert pharmacological effects. Its biological effects, if any, would be related to its metabolism as a fatty acid ester. It is not used as a drug substance.
|
|---|---|
| ln Vitro |
In studies pertaining to life sciences, ethyl 2-methylpentanoate is a biochemical reagent that can be utilized as an organic substance or biological material.
Specific in vitro activity data for Ethyl 2-methylpentanoate as a pharmacological agent are not documented in the literature. It is primarily used as a flavoring agent and a research chemical. The compound is not characterized for direct biological activities such as enzyme inhibition or receptor modulation. Its effects in biological systems are primarily related to its physical properties as a flavor compound. |
| ln Vivo |
Ethyl 2-methylpentanoate is not used for in vivo pharmacological activity assessment as a drug compound. It is a flavoring agent and a research chemical. In vivo, it may be metabolized to 2-methylpentanoic acid and ethanol. The compound itself is not intended to be administered for therapeutic purposes. Its presence in foods contributes to their aroma and flavor profiles.
|
| Enzyme Assay |
Ethyl 2-methylpentanoate is not typically used in enzyme/receptor binding assays as a test compound. Its primary applications are as a flavoring agent and as a reference standard in analytical chemistry. When used in research, it may serve as a standard for the quantification of flavor compounds using GC-MS or other analytical methods.
|
| Cell Assay |
Ethyl 2-methylpentanoate is not used in cell-based assays as a test compound. Its primary applications are as a flavoring agent and as a research chemical. The compound is not characterized for direct cellular effects. It may be used in studies of flavor perception or as a control compound in analytical method development.
|
| Animal Protocol |
Ethyl 2-methylpentanoate is not used in animal studies as a pharmacological agent. Its primary applications are as a flavoring agent and as a research chemical. The compound may be present in animal studies as a component of diets, but it is not administered as a test compound for efficacy evaluations. Its presence in biological samples may be monitored in flavor metabolism studies.
|
| ADME/Pharmacokinetics |
Ethyl 2-methylpentanoate has a molecular weight of 144.21 g/mol and a molecular formula of C₈H₁₆O₂. It is also known as Ethyl 2-methylvalerate and manzanate. The compound has a boiling point of 153-152°C and a density of 0.864 g/mL. It is used as a flavoring agent. It is typically stored under standard laboratory conditions.
|
| Toxicity/Toxicokinetics |
Ethyl 2-methylpentanoate is generally recognized as safe (GRAS) as a flavoring agent when used in accordance with good manufacturing practices. It is not intended for human therapeutic use. As a research chemical, standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. The compound should be handled in well-ventilated areas with proper waste disposal procedures.
|
| Additional Infomation |
2-Methylvalerate is a fatty acid ester.
Ethyl 2-methylpentanoate (Ethyl 2-methylvalerate) (CAS#: 39255-32-8) has a molecular formula of C₈H₁₆O₂ and a molecular weight of 144.21 g/mol. It is also known as manzanate and melon valerate. The compound has a fruity, pungent smell and is used as a flavoring in foods. This compound is not a drug and has not undergone clinical trials. |
| Molecular Formula |
C8H16O2
|
|---|---|
| Molecular Weight |
144.21
|
| Exact Mass |
144.115
|
| CAS # |
39255-32-8
|
| PubChem CID |
62902
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
0.864 g/mL at 25 °C(lit.)
|
| Boiling Point |
153-152 °C(lit.)
|
| Flash Point |
103 °F
|
| Index of Refraction |
n20/D 1.403(lit.)
|
| LogP |
1.985
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
10
|
| Complexity |
99.4
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([H])([H])C([H])([H])[H])C(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])=O
|
| InChi Key |
HZPKNSYIDSNZKW-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3
|
| Chemical Name |
ethyl 2-methylpentanoate
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
