| Size | Price | Stock | Qty |
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| 1g |
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| Other Sizes |
| Targets |
m-Tolylacetic acid does not have a specific well-defined pharmacological target, as it is primarily used as a chemical intermediate. However, as a metabolite of toluene acetic acid, it may have biological activities. Its carboxylic acid group makes it reactive in esterification, amidation, and coupling reactions, while the tolyl group enhances its hydrophobicity and reactivity. In biological systems, it may be involved in the metabolism of aromatic compounds.
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| ln Vitro |
m-Tolylacetic acid exhibits in vitro activity primarily as a chemical reagent and intermediate. It is used in the synthesis of pharmaceuticals, agrochemicals, and dyestuff. It is also used as a reactant in the diastereoselective preparation of arylmethylene-isoindolinones. Its activity is assessed in chemical synthesis reactions, where it serves as a precursor for more complex molecules. These in vitro activities confirm its value as a building block in organic synthesis.
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| ln Vivo |
m-Tolylacetic acid is not typically used as a therapeutic agent in vivo. However, as a metabolite, it may be involved in various physiological processes. In toxicological studies, it may be evaluated for its effects on metabolism and excretion. Its metabolic fate in vivo involves conjugation and excretion. These studies help define the safety profile of aromatic carboxylic acids.
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| Enzyme Assay |
m-Tolylacetic acid does not have specific enzyme/receptor binding assays associated with it, as it is not a typical drug target compound. However, its reactivity in chemical reactions can be assayed. Its role as a metabolite can be studied using metabolomics techniques.
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| Cell Assay |
m-Tolylacetic acid is not typically used in cellular assays as a pharmacological agent. However, its effects on cells can be studied in the context of toxicity. Cytotoxicity assays can be performed to assess the compound's effects on cell viability. These assays are primarily used in toxicological research.
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| Animal Protocol |
In vivo animal experiments with m-Tolylacetic acid are primarily conducted for toxicological evaluation. Rodent models are used to assess acute and subchronic toxicity via oral, dermal, or inhalation routes. Clinical signs, body weight, and organ weights are monitored. Histopathological examination of tissues is performed to assess target organ toxicity. These studies are important for assessing the safety of m-tolylacetic acid for use in industrial applications.
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| ADME/Pharmacokinetics |
m-Tolylacetic acid is a small, lipophilic molecule with a molecular weight of 150.18. It is soluble in organic solvents. It is absorbed after oral administration and is metabolized primarily by conjugation and oxidation. The compound is excreted in urine. Its pharmacokinetic profile is typical for small aromatic carboxylic acids.
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| Toxicity/Toxicokinetics |
m-Tolylacetic acid is considered to have low toxicity based on its use as a research compound. However, comprehensive toxicological evaluations have not been extensively published. The compound is intended for research use only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
3-Methylphenylacetic acid is a monocarboxylic acid, formed by replacing one methyl hydrogen atom in an acetic acid molecule with a 3-methylphenyl group. It is a fungal heterotrophic metabolite. It belongs to the benzene family and is functionally related to acetic acid. 3-Methylphenylacetic acid has been reported to be detected in Aspergillus sydowii, and relevant data are available for reference.
m-Tolylacetic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals, and dyestuff. It is also known as 3-methylphenylacetic acid or 3-methylbenzeneacetic acid. The compound is a metabolite of toluene acetic acid. It is used as a reactant in the diastereoselective preparation of arylmethylene-isoindolinones. It is available in high purity (≥98%) for research applications. |
| Molecular Formula |
C₉H₁₀O₂
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|---|---|
| Molecular Weight |
150.17
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| Exact Mass |
150.068
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| CAS # |
621-36-3
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| PubChem CID |
12121
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
275.5±9.0 °C at 760 mmHg
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| Melting Point |
64-66 °C(lit.)
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| Flash Point |
172.7±13.9 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.546
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| LogP |
1.97
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
11
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| Complexity |
143
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
GJMPSRSMBJLKKB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
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| Chemical Name |
2-(3-methylphenyl)acetic acid
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| Synonyms |
mTolylacetic acid; m Tolylacetic 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 (~665.91 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.65 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 (16.65 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (16.65 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 | 6.6591 mL | 33.2956 mL | 66.5912 mL | |
| 5 mM | 1.3318 mL | 6.6591 mL | 13.3182 mL | |
| 10 mM | 0.6659 mL | 3.3296 mL | 6.6591 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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