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| Other Sizes |
| Targets |
1,2,3-Trimethoxybenzene targets various biological pathways depending on its derivatives. As a trimethoxybenzene, it serves as a precursor for the synthesis of bioactive compounds with diverse targets. The compound's methoxy groups provide electron-donating properties that can influence its reactivity and the properties of its derivatives. Its role as a chemical intermediate suggests it can be used to generate compounds with antimicrobial, anticancer, or other biological activities. Further research is needed to identify any direct biological targets of the parent compound.
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| ln Vitro |
In vitro studies of 1,2,3-Trimethoxybenzene have focused on its role as a chemical intermediate in organic synthesis. The compound's reactivity and stability have been characterized in various chemical reactions. It is used as a precursor for the synthesis of pharmaceuticals and natural products. Its purity and identity are assessed using analytical chemistry methods. These in vitro studies provide foundational data for understanding the compound's utility in organic synthesis and pharmaceutical research.
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| ln Vivo |
In vivo studies of 1,2,3-Trimethoxybenzene are limited, as the compound is primarily used as a research chemical and chemical intermediate. Its derivatives may be evaluated in vivo for their biological activities. However, comprehensive in vivo studies specifically targeting 1,2,3-Trimethoxybenzene are not well documented in the available literature. Further research is needed to fully characterize its in vivo pharmacokinetic and pharmacodynamic properties.
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| Enzyme Assay |
In vitro chemical assays for 1,2,3-Trimethoxybenzene involve testing its reactivity and purity as a chemical intermediate. The compound's purity and identity are assessed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy, high-performance liquid chromatography, and mass spectrometry. Its reactivity in chemical reactions is evaluated using standard organic chemistry techniques. All assays are performed with appropriate controls and standardized protocols to ensure reproducibility of results.
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| Cell Assay |
In vitro cell-based assays for 1,2,3-Trimethoxybenzene are limited, as the compound is primarily used as a chemical intermediate rather than a biological agent. Its derivatives may be evaluated in cell-based assays for their biological activities. However, comprehensive cell-based studies specifically targeting the parent compound are not well documented in the available literature. The compound is primarily used in organic synthesis applications.
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| Animal Protocol |
In vivo animal experiments for 1,2,3-Trimethoxybenzene are not well documented, as the compound is primarily used as a chemical intermediate rather than a therapeutic agent. For toxicology studies, animals may be administered the compound to evaluate its safety profile. Parameters assessed would include body weight, organ weights, and histopathology. Control groups receiving vehicle alone would be included for comparison. All procedures would comply with institutional animal care and use committee guidelines. Comprehensive in vivo studies are not well documented in the available literature.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 1,2,3-Trimethoxybenzene reflect its nature as a small aromatic compound. It has a molecular weight consistent with its formula C9H12O3. As a lipophilic molecule, it can cross biological membranes readily. The compound is expected to be metabolized through standard xenobiotic pathways in the liver, including O-demethylation and conjugation reactions. Complete pharmacokinetic profiling including half-life, clearance, volume of distribution, and bioavailability would require further systematic studies.
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| Toxicity/Toxicokinetics |
The toxicity profile of 1,2,3-Trimethoxybenzene has been evaluated in the context of its use as a research chemical. As an aromatic compound, it may have irritant properties. Proper handling procedures including use of personal protective equipment are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for research purposes only. Long-term toxicity studies would be needed to fully establish its safety profile. The compound's methoxy groups may influence its metabolism and toxicity.
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| References |
[1]. Zheng Li, et al. Cleavage of ethers and demethylation of lignin in acidic concentrated lithium bromide (ACLB) solution.
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| Additional Infomation |
1,2,3-Trimethoxybenzene is a methoxybenzene in which the 1, 2, and 3 positions of the benzene ring are replaced by methoxy groups. It is a plant metabolite. 1,2,3-Trimethoxybenzene has been reported to have been found in papyrifer (Tetrapanax papyrifer), and relevant data are available for reference.
1,2,3-Trimethoxybenzene (CAS# 634-36-6) is a benzene derivative with the molecular formula C9H12O3. It features three methoxy groups at the 1, 2, and 3 positions of the benzene ring. The compound is used as a chemical intermediate in organic synthesis and pharmaceutical research. As a trimethoxybenzene, it is a precursor for the synthesis of various bioactive compounds including pharmaceuticals and natural products. 1,2,3-Trimethoxybenzene is intended for research use only and is not for human therapeutic use. |
| Molecular Formula |
C9H12O3
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|---|---|
| Molecular Weight |
168.19
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| Exact Mass |
168.078
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| CAS # |
634-36-6
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| PubChem CID |
12462
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| Appearance |
Off-white to light brown <43°C solid powder,>47°C liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
235.0±0.0 °C at 760 mmHg
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| Melting Point |
43-47 °C(lit.)
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| Flash Point |
70.4±19.1 °C
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| Vapour Pressure |
0.1±0.4 mmHg at 25°C
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| Index of Refraction |
1.485
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| LogP |
1.66
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
12
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| Complexity |
115
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])([H])[H])C1C(=C([H])C([H])=C([H])C=1OC([H])([H])[H])OC([H])([H])[H]
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| InChi Key |
CRUILBNAQILVHZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3
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| Chemical Name |
1,2,3-trimethoxybenzene
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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 (594.57 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.86 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 (14.86 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 (14.86 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 | 5.9457 mL | 29.7283 mL | 59.4566 mL | |
| 5 mM | 1.1891 mL | 5.9457 mL | 11.8913 mL | |
| 10 mM | 0.5946 mL | 2.9728 mL | 5.9457 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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