| Size | Price | Stock | Qty |
|---|---|---|---|
| 10g |
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| Other Sizes |
| Targets |
2-Hydroxy-4-methylbenzaldehyde does not have a well-defined pharmacological target, as it is primarily a chemical intermediate and endogenous metabolite. It may interact with various enzymes and receptors as a xenobiotic, but its specific binding targets have not been fully characterized. The compound's aldehyde and phenol groups make it reactive and capable of forming adducts with biological molecules. It is not used as a therapeutic agent.
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|---|---|
| ln Vitro |
2-Hydroxy-4-methylbenzaldehyde does not possess significant pharmacological activity as a pure compound in typical in vitro assays, as it is primarily used as a chemical intermediate. Studies may involve evaluating its reactivity in organic synthesis or its presence as a metabolite in biological samples. The compound is used as a precursor for the synthesis of many organic compounds. It is not studied for specific biological activities.
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| ln Vivo |
In vivo activity of 2-Hydroxy-4-methylbenzaldehyde is related to its role as an endogenous metabolite. It is found in licorice and may have biological effects in plants or animals. However, the compound is not used therapeutically, and comprehensive in vivo studies evaluating its pharmacokinetic properties, efficacy, and safety are limited. Its toxicity profile is primarily related to its use as a chemical intermediate.
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| Enzyme Assay |
In vitro enzyme/receptor binding experiments for 2-Hydroxy-4-methylbenzaldehyde are not typical, as it is a chemical intermediate rather than a pharmacologically active compound. Studies may involve measuring its reactivity with various reagents or its presence as a metabolite in biological samples. Its chemical properties are characterized using standard analytical methods such as GC and HPLC. The compound is also used as a reference standard in analytical chemistry.
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| Cell Assay |
In vitro cellular experiments for 2-Hydroxy-4-methylbenzaldehyde are not typical, as it is a chemical intermediate rather than a pharmacologically active compound. The compound may be used in studies to evaluate its cytotoxicity or its metabolism in cell lines. However, comprehensive in vitro cellular studies are limited. The compound's aldehyde and phenol groups can react with cellular nucleophiles, which may contribute to its biological effects.
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| Animal Protocol |
In vivo animal experiments for 2-Hydroxy-4-methylbenzaldehyde are not typical, as it is a chemical intermediate rather than a drug candidate. Studies may involve administering the compound to animals to study its metabolism or toxicity. The compound is a known irritant and should be handled with care. Comprehensive in vivo studies evaluating its pharmacokinetic properties are limited.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2-Hydroxy-4-methylbenzaldehyde have not been extensively characterized. With a molecular weight of 136.15, the compound is expected to have moderate lipophilicity. It is used as an intermediate for the synthesis of liquid crystals. Detailed pharmacokinetic studies are limited. The compound's physicochemical properties are typical of aromatic aldehydes and phenols.
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| Toxicity/Toxicokinetics |
Toxicological data for 2-Hydroxy-4-methylbenzaldehyde are limited. As an aldehyde and phenol, it may cause irritation to the skin, eyes, and respiratory tract. The compound should be handled with care, and standard safety protocols for handling aldehydes and phenols should be followed, including the use of personal protective equipment and working in a well-ventilated area. The toxicological properties of this substance have not been fully investigated.
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| Additional Infomation |
2-Hydroxy-4-methylbenzaldehyde is a type of hydroxybenzaldehyde. It has been reported that licorice contains 2-hydroxy-4-methylbenzaldehyde, and relevant data is available for reference.
2-Hydroxy-4-methylbenzaldehyde is a research chemical that has not entered clinical trials or received regulatory approval for therapeutic use. It is primarily used as a chemical intermediate in the synthesis of liquid crystals and pharmaceuticals. The compound is also an endogenous metabolite and is found in licorice. It is also known as 4-Methylsalicylaldehyde. Further research is needed to explore its potential biological activities. |
| Molecular Formula |
C₈H₈O₂
|
|---|---|
| Molecular Weight |
136.15
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| Exact Mass |
136.052
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| CAS # |
698-27-1
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| PubChem CID |
61200
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
219.5±20.0 °C at 760 mmHg
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| Melting Point |
58-61ºC(lit.)
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| Flash Point |
88.0±14.4 °C
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| Vapour Pressure |
0.1±0.4 mmHg at 25°C
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| Index of Refraction |
1.602
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| LogP |
2.07
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| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
|
| Heavy Atom Count |
10
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| Complexity |
122
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
JODRRPJMQDFCBJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H8O2/c1-6-2-3-7(5-9)8(10)4-6/h2-5,10H,1H3
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| Chemical Name |
2-hydroxy-4-methylbenzaldehyde
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| Synonyms |
2Hydroxy4methylbenzaldehyde; 2 Hydroxy 4 methylbenzaldehyde
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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 : ~33.33 mg/mL (~244.80 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.36 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 (18.36 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 (18.36 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 | 7.3448 mL | 36.7242 mL | 73.4484 mL | |
| 5 mM | 1.4690 mL | 7.3448 mL | 14.6897 mL | |
| 10 mM | 0.7345 mL | 3.6724 mL | 7.3448 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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