| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
1,2,3,4-Tetramethylbenzene does not have a biological target, as it is a chemical reagent and solvent rather than a pharmacologically active compound. Its function is chemical—it serves as a non-polar organic solvent and building block for organic synthesis. The compound is not designed for therapeutic use and has no specific receptor or enzyme targets. Its interactions are based on its hydrophobic nature and ability to dissolve organic compounds. In biological systems, aromatic hydrocarbons can interact with lipid membranes, but this is a non-specific effect.
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|---|---|
| ln Vitro |
As a chemical reagent, 1,2,3,4-tetramethylbenzene exhibits no pharmacological activity in vitro. Its utility is demonstrated in organic synthesis as a non-polar solvent and starting material for the preparation of more complex molecules. The compound is used in the preparation of 1,2,3,4-tetramethylbenzene-5-chlorosulfonyl chloride and other derivatives. In cell-based assays, the compound is not tested for biological activity. Its role is strictly chemical—providing a non-polar solvent and building block for synthetic chemistry.
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| ln Vivo |
1,2,3,4-Tetramethylbenzene does not exhibit in vivo biological activity, as it is not a therapeutic agent. The compound is used as a solvent and chemical intermediate in organic synthesis. Any in vivo effects would be associated with the final products synthesized from this intermediate, not with the compound itself. The compound is not administered to animals in pharmacological studies and has no known physiological effects. Its role is strictly chemical—enabling organic transformations and serving as a non-polar solvent.
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| Enzyme Assay |
In vitro assays for 1,2,3,4-tetramethylbenzene focus on its physicochemical properties and use as a solvent, not receptor binding. Standard characterization includes determination of boiling point (205°C), melting point (-6.2°C), and density. For quality control, purity is assessed by GC (≥90-98%). The compound is used as a starting material in the preparation of sulfonyl chlorides and other derivatives. No biological assays are performed with this compound.
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| Cell Assay |
Cell-based experiments are not performed with 1,2,3,4-tetramethylbenzene, as it is a solvent and chemical reagent rather than a test compound for biological activity. The compound is used exclusively in organic synthesis and as a non-polar solvent in chemical reactions. No cytotoxicity or cell viability studies are conducted with this compound, as it is not intended for biological applications.
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| Animal Protocol |
In vivo animal studies are not conducted with 1,2,3,4-tetramethylbenzene, as it is a chemical reagent 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 as a solvent in chemical reactions. No in vivo efficacy or safety studies have been reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 1,2,3,4-tetramethylbenzene are not characterized, as it is not a drug substance. Based on its physicochemical properties (molecular weight 134.22, high lipophilicity, low water solubility), the compound would be expected to have low oral bioavailability. If absorbed, it would likely distribute to lipid-rich tissues and be metabolized via cytochrome P450-mediated 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 |
1,2,3,4-Tetramethylbenzene is a combustible liquid and may be harmful if swallowed, inhaled, or in contact with skin. The compound should be handled with appropriate personal protective equipment, including gloves, safety glasses, and working in a fume hood. It should be stored away from sources of ignition and strong oxidizing agents. No acute toxicity data are available. The compound is not intended for drug, household, or other uses.
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| References |
[1]. Ying Duan Lei, et al. Measuring the Octan-1-ol Air Partition Coefficient of Volatile Organic Chemicals with the Variable Phase Ratio Headspace Technique. Cite this: J. Chem. Eng. Data 2019, 64, 11, 4793–4800.
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| Additional Infomation |
Prehnitene is a tetramethylbenzene formed by replacing the benzene ring with methyl groups at positions 1, 2, 3, and 4. 1,2,3,4-Tetramethylbenzene has been reported in Ceratophyllum demersum, and relevant data are available.
1,2,3,4-Tetramethylbenzene is a specialty product used as a non-polar organic solvent and building block in organic synthesis. It is a useful starting material for the preparation of various derivatives, including sulfonyl chlorides. The compound has not undergone clinical trials and is not approved as a pharmaceutical. Its mechanism of action is chemical—serving as a solvent and synthetic intermediate for the preparation of more complex molecules. |
| Molecular Formula |
C10H14
|
|---|---|
| Molecular Weight |
134.22
|
| Exact Mass |
134.109
|
| CAS # |
488-23-3
|
| PubChem CID |
10263
|
| Appearance |
Colorless to light yellow liquid（Density：0.838 g/cm3）
|
| Density |
0.9±0.1 g/cm3
|
| Boiling Point |
204.0±35.0 °C at 760 mmHg
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| Melting Point |
76-80 °C(lit.)
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| Flash Point |
68.3±0.0 °C
|
| Vapour Pressure |
0.4±0.2 mmHg at 25°C
|
| Index of Refraction |
1.501
|
| LogP |
4.06
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
0
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
10
|
| Complexity |
92.6
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1(C([H])([H])[H])=C(C([H])([H])[H])C([H])=C([H])C(C([H])([H])[H])=C1C([H])([H])[H]
|
| InChi Key |
UOHMMEJUHBCKEE-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3
|
| Chemical Name |
1,2,3,4-tetramethylbenzene
|
| 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 (745.05 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.63 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 (18.63 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 (18.63 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 | 7.4505 mL | 37.2523 mL | 74.5045 mL | |
| 5 mM | 1.4901 mL | 7.4505 mL | 14.9009 mL | |
| 10 mM | 0.7450 mL | 3.7252 mL | 7.4505 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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