| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
| Targets |
Trimethylhydroquinone does not have a defined biological target as a pharmacological compound. Its function is chemical and antioxidant—it serves as a reducing agent and free radical scavenger. As a hydroquinone derivative, it can undergo reversible oxidation to the corresponding quinone, which is the basis for its antioxidant activity. When used in the synthesis of vitamin E, the final product (α-tocopherol) acts as a potent antioxidant in biological systems. The compound itself is not evaluated for biological activity against specific targets.
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|---|---|
| ln Vitro |
In vitro, trimethylhydroquinone exhibits potent antioxidant activity, protecting products from oxidative damage. It is used as a reducing agent in various chemical reactions and as a stabilizer in polymer and food applications. The compound is also used as a medical intermediate for the synthesis of vitamin E. In cell-based assays, hydroquinones can exhibit cytotoxicity at high concentrations due to redox cycling and the generation of reactive oxygen species. However, trimethylhydroquinone is not used as a therapeutic agent.
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| ln Vivo |
Trimethylhydroquinone does not exhibit in vivo biological activity as a therapeutic agent. The compound is used as a chemical intermediate for the synthesis of vitamin E (α-tocopherol), which is an essential nutrient with antioxidant properties in vivo. The compound itself is not administered to animals in pharmacological studies and has no known physiological effects. Its role is strictly chemical—serving as a precursor for the synthesis of vitamin E and as an antioxidant in industrial applications.
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| Enzyme Assay |
In vitro assays for trimethylhydroquinone focus on its antioxidant properties and use as a chemical intermediate. 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 (169-172°C). Purity is typically ≥98%. The compound is used in the synthesis of vitamin E and as a medical intermediate.
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| Cell Assay |
Cell-based experiments are not performed with trimethylhydroquinone as a test compound for biological activity. The compound is used primarily as a chemical intermediate and antioxidant in industrial applications. 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 trimethylhydroquinone, as it is a chemical intermediate rather than a therapeutic test article. The compound is not used in pharmacological or toxicological studies in animals. Its applications are limited to chemical synthesis and industrial antioxidant applications. No in vivo efficacy or safety studies have been reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of trimethylhydroquinone are not characterized, as it is not a drug substance. Based on its physicochemical properties (molecular weight 152.19, moderate water solubility of 2 g/L), the compound would be expected to have moderate oral bioavailability if administered. It would likely undergo metabolism via conjugation (glucuronidation, sulfation) and oxidation. However, the compound is not intended for human exposure and has not been evaluated in formal pharmacokinetic studies.
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| Toxicity/Toxicokinetics |
Toxicity Data
LC50 (Rat) = 1,500 mg/m³/4 hours Trimethylhydroquinone is a combustible solid and 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 strong oxidizing agents. No acute toxicity data are available. The compound is not intended for drug, household, or other uses. |
| References |
[1]. Y.Ichikawa, et al. A New Process for the Production of Trimethylhydroquinone. Cite this: Ind. Eng. Chem. Prod. Res. Dev. 1979, 18.
[2]. N Kawasaki, et al. Synthesis of trimethylhydroquinone derivatives as anti-allergic agents with anti-oxidative actions. Chem Pharm Bull (Tokyo). 1999 Feb;47(2):177-81. |
| Additional Infomation |
2,3,5-Trimethylhydroquinone is a hydroquinone compound in which methyl groups are substituted at positions 2, 3, and 5. It belongs to the hydroquinone class and is also a toluene class of compounds.
Trimethylhydroquinone is an essential intermediate for the synthesis of vitamin E (α-tocopherol) and is used as a powerful antioxidant in various formulations and food preservation. It is also used as a medical intermediate and in the synthesis of other bioactive compounds. The compound has not undergone clinical trials and is not approved as a pharmaceutical. Its mechanism of action is chemical—serving as a reducing agent and precursor for vitamin E synthesis. |
| Molecular Formula |
C9H12O2
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|---|---|
| Molecular Weight |
152.19
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| Exact Mass |
152.083
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| CAS # |
700-13-0
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| PubChem CID |
12785
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
298.3±35.0 °C at 760 mmHg
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| Melting Point |
169-172 °C(lit.)
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| Flash Point |
146.3±20.5 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.573
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| LogP |
2.03
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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 |
11
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| Complexity |
136
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C1C(C([H])([H])[H])=C([H])C(=C(C([H])([H])[H])C=1C([H])([H])[H])O[H]
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| InChi Key |
AUFZRCJENRSRLY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3
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| Chemical Name |
2,3,5-trimethylbenzene-1,4-diol
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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: 66.67 mg/mL (438.07 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.43 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 (16.43 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 (16.43 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 | 6.5707 mL | 32.8537 mL | 65.7073 mL | |
| 5 mM | 1.3141 mL | 6.5707 mL | 13.1415 mL | |
| 10 mM | 0.6571 mL | 3.2854 mL | 6.5707 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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