| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
|
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| Other Sizes |
| Targets |
(E)-2-Methyl-2-pentenoic acid does not have a specific pharmacological target. It is not a drug and is not intended for therapeutic use. It may be used as a building block for the synthesis of pharmaceutical compounds.
|
|---|---|
| ln Vitro |
In vitro activity is not documented for (E)-2-methyl-2-pentenoic acid. It is primarily used as a chemical intermediate rather than a pharmacologically active agent.
|
| ln Vivo |
In vivo activity is not documented for (E)-2-methyl-2-pentenoic acid. It is not a therapeutic agent and is not used in animal models for pharmacological studies.
|
| Enzyme Assay |
(E)-2-Methyl-2-pentenoic acid can be analyzed by GC-MS. For use as a synthetic intermediate, standard organic chemistry reactions are employed. It can be esterified, reduced, or used in condensation reactions.
|
| Cell Assay |
Cell-based assays are not applicable for this compound as it is not a pharmacologically active agent. It may be used in cytotoxicity screening as a negative control.
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| Animal Protocol |
Animal studies are not applicable for (E)-2-methyl-2-pentenoic acid as it is not a therapeutic agent.
|
| ADME/Pharmacokinetics |
(E)-2-Methyl-2-pentenoic acid (MW 114.14) is a small lipophilic molecule. As a chemical intermediate, pharmacokinetic properties are not studied.
|
| Toxicity/Toxicokinetics |
(E)-2-Methyl-2-pentenoic acid is considered to have low toxicity. It is used as a flavoring agent and is generally recognized as safe at low concentrations. Standard laboratory safety precautions should be taken.
|
| Additional Infomation |
2-Methyl-2-pentenoic acid is a methyl branched fatty acid. It is the conjugate acid of 2-methyl-(2E)-pentenoic acid ester (1-).
(E)-2-Methyl-2-pentenoic acid is a research chemical used as a flavoring agent and synthetic intermediate. It is not a drug and is not in clinical trials. It is also known as 2-methyl-2-pentenoic acid. |
| Molecular Formula |
C6H10O2
|
|---|---|
| Molecular Weight |
114.1424
|
| Exact Mass |
114.068
|
| CAS # |
16957-70-3
|
| PubChem CID |
5365909
|
| Appearance |
Colorless to off-white <26°C solid powder,>28°C liquid
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
215.9±0.0 °C at 760 mmHg
|
| Melting Point |
26-28ºC
|
| Flash Point |
107.8±0.0 °C
|
| Vapour Pressure |
0.1±0.8 mmHg at 25°C
|
| Index of Refraction |
1.454
|
| LogP |
1.89
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
8
|
| Complexity |
114
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C(/C(/C([H])([H])[H])=C(\[H])/C([H])([H])C([H])([H])[H])=O
|
| InChi Key |
JJYWRQLLQAKNAD-SNAWJCMRSA-N
|
| InChi Code |
InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+
|
| Chemical Name |
(E)-2-methylpent-2-enoic acid
|
| 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) |
DMSO : ~100 mg/mL (~876.12 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (21.90 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 (21.90 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 (21.90 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 | 8.7612 mL | 43.8059 mL | 87.6117 mL | |
| 5 mM | 1.7522 mL | 8.7612 mL | 17.5223 mL | |
| 10 mM | 0.8761 mL | 4.3806 mL | 8.7612 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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