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| Other Sizes |
| Targets |
3-Methylcatechol does not have a defined biological target as a pharmacological compound. Its function is chemical and biochemical—it serves as a building block for organic synthesis and as a bacterial xenobiotic metabolite. The catechol structure exhibits potent antioxidant properties, which may contribute to non-specific biological effects such as free radical scavenging. However, the compound is not designed for therapeutic use and has no specific receptor or enzyme targets.
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|---|---|
| ln Vitro |
In vitro, 3-methylcatechol exhibits antioxidant properties due to its catechol structure, making it a valuable additive in polymer manufacturing and food packaging. It is also used as a building block for the synthesis of antibacterial agents and other bioactive compounds. The compound is not tested for pharmacological activity in standard cell-based assays. Its utility is demonstrated in organic synthesis and as a microbial metabolite, not as a therapeutic agent.
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| ln Vivo |
3-Methylcatechol does not exhibit in vivo biological activity as a therapeutic agent. The compound is used as a chemical intermediate and as a bacterial metabolite in environmental studies. It is not administered to animals in pharmacological studies and has no known physiological effects. Its role is strictly chemical and biochemical—serving as a building block and as a metabolite in bacterial degradation pathways.
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| Enzyme Assay |
In vitro assays for 3-methylcatechol focus on its chemical properties and antioxidant activity rather than receptor binding. A standard protocol for antioxidant activity involves incubating the compound with DPPH or ABTS radicals and measuring the reduction in absorbance spectrophotometrically. For quality control, the compound is characterized by NMR, HPLC, and melting point determination (64-68°C). Purity is typically ≥99%. The compound is used in organic synthesis for the preparation of antibacterial agents, antioxidants, and polymer stabilizers.
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| Cell Assay |
Cell-based experiments are not performed with 3-methylcatechol as a test compound for biological activity. The compound is used primarily in organic synthesis and as a bacterial metabolite in environmental microbiology studies. No cytotoxicity or cell viability studies are conducted with this compound as it is not intended for biological applications in mammalian systems.
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| Animal Protocol |
In vivo animal studies are not conducted with 3-methylcatechol, as it is a chemical reagent and bacterial metabolite rather than a therapeutic test article. The compound is not used in pharmacological or toxicological studies in animals. Its applications are limited to organic synthesis and environmental microbiology research. No in vivo efficacy or safety studies have been reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-methylcatechol are not characterized, as it is not a drug substance. Based on its physicochemical properties (molecular weight 124.14, moderate water solubility, catechol structure), the compound would be expected to undergo metabolism via catechol O-methyltransferase (COMT) and conjugation reactions if absorbed. However, the compound is not intended for human exposure and has not been evaluated in formal pharmacokinetic studies.
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| Toxicity/Toxicokinetics |
3-Methylcatechol may cause skin and eye irritation. Standard laboratory safety precautions should be followed when handling this compound, including the use of gloves, safety glasses, and working in a fume hood. The compound should be stored in a cool, dry place away from light and moisture. No acute toxicity data are available. The compound is not intended for drug, household, or other uses.
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| References | |
| Additional Infomation |
3-Methylcatechol is a methylcatechol with a methyl substituent at the 3-position. It is an exogenous metabolite produced by certain bacteria capable of degrading nitroaromatic compounds in pesticide-contaminated soil samples. It functions as a bacterial exogenous metabolite. 3-Methylbenzene-1,2-diol is a solid. This compound belongs to the catechol class of compounds. Catechols are compounds containing the 1,2-benzenediol structural unit. 3-Methylbenzene-1,2-diol targets the biphenyl-2,3-diol 1,2-dioxygenase protein. 3-Methylcatechol has been reported in Verbascum lychnitis and Apis cerana, and relevant data exist. See also: Tobacco Smoke (partial).
3-Methylcatechol is a bioactive aromatic compound used in organic synthesis for the preparation of antibacterial agents, antioxidants, polymer inhibitors, stabilizers, and flavors. It is also a xenobiotic metabolite produced by bacteria capable of degrading nitroaromatic compounds. The compound is also known as 2,3-dihydroxytoluene and 3-methylpyrocatechol. It has not undergone clinical trials and is not approved as a pharmaceutical. Its mechanism of action is chemical—serving as a building block and bacterial metabolite. |
| Molecular Formula |
C7H8O2
|
|---|---|
| Molecular Weight |
124.14
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| Exact Mass |
124.052
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| CAS # |
488-17-5
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| PubChem CID |
340
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| Appearance |
Off-white to yellow solid
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
240.9±20.0 °C at 760 mmHg
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| Melting Point |
65-68 °C(lit.)
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| Flash Point |
116.7±16.4 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.595
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| LogP |
1.34
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
9
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| Complexity |
92.9
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C1C(=C([H])C([H])=C([H])C=1C([H])([H])[H])O[H]
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| InChi Key |
PGSWEKYNAOWQDF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
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| Chemical Name |
3-methylbenzene-1,2-diol
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| Synonyms |
3-Methylcatechol
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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: 50 mg/mL (402.77 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (20.14 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 (20.14 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.0554 mL | 40.2771 mL | 80.5542 mL | |
| 5 mM | 1.6111 mL | 8.0554 mL | 16.1108 mL | |
| 10 mM | 0.8055 mL | 4.0277 mL | 8.0554 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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