| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
| Targets |
Methyl isovanillate does not have a specific biological target. It is primarily used as a chemical intermediate and a research compound. As a secondary metabolite, it may have some biological activity, but its primary value is as a synthetic building block for pharmaceuticals and other complex molecules.
|
|---|---|
| ln Vitro |
Specific in vitro biological activity data for Methyl isovanillate are not reported in the provided literature. Its primary use is as a chemical intermediate and a research compound, rather than as a pharmacologically active agent.
|
| ln Vivo |
Methyl isovanillate is not used as a therapeutic compound and has no reported in vivo biological activity.
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| Enzyme Assay |
Methyl isovanillate is not used in standard biochemical assays as a bioactive compound. It is a chemical reagent. Its characterization is performed using standard analytical techniques like HPLC, NMR, and MS.
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| Cell Assay |
Methyl isovanillate is not typically used in cellular assays as a bioactive compound. It is a chemical intermediate and a research chemical. For research use, it is typically dissolved in DMSO and stored at -20°C.
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| Animal Protocol |
In vivo studies for Methyl isovanillate are not conducted as it is not a therapeutic compound.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Methyl isovanillate are not applicable as it is not a therapeutic compound. The compound has a molecular weight of 182.17 g/mol and is typically stored as a powder at -20°C for up to 3 years.
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| Toxicity/Toxicokinetics |
Methyl isovanillate is a chemical reagent and should be handled with appropriate safety precautions. It may cause irritation to skin, eyes, and respiratory tract. Standard laboratory safety practices should be followed.
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| References | |
| Additional Infomation |
Methyl 3-hydroxy-4-methoxybenzoate has been reported to have been found in Aristolochia debilis, custard apple, and other organisms with available data.
Methyl isovanillate is an aromatic ester used as a building block in organic synthesis. It has the molecular formula C9H10O4. It is a secondary metabolite found in plants like Vitex agnus-castus. It has no clinical applications and is for research use only. |
| Molecular Formula |
C9H10O4
|
|---|---|
| Molecular Weight |
182.17
|
| Exact Mass |
182.057
|
| CAS # |
6702-50-7
|
| PubChem CID |
4056967
|
| Appearance |
Solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
327.7±22.0 °C at 760 mmHg
|
| Melting Point |
64-67ºC
|
| Flash Point |
132.8±15.8 °C
|
| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
1.534
|
| LogP |
1.75
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
13
|
| Complexity |
181
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
QXOXUEFXRSIYSW-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H10O4/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5,10H,1-2H3
|
| Chemical Name |
methyl 3-hydroxy-4-methoxybenzoate
|
| 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 (548.94 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.72 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 (13.72 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 (13.72 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 | 5.4894 mL | 27.4469 mL | 54.8938 mL | |
| 5 mM | 1.0979 mL | 5.4894 mL | 10.9788 mL | |
| 10 mM | 0.5489 mL | 2.7447 mL | 5.4894 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
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