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|---|---|---|
| Other Sizes |
| Targets |
1,3-Dimethoxybenzene does not have a specific pharmacological target as it is not a drug. Its primary applications are as a flavoring agent and chemical intermediate. The compound can form pi- and O-ylidic complexes with dichlorocarbene. Derivatives of 1,3-dimethoxybenzene have been studied for antioxidant activities. The compound serves as a building block in organic synthesis for the preparation of various biologically active molecules.
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| ln Vitro |
In vitro activity of 1,3-dimethoxybenzene is primarily related to its role as a flavoring agent and chemical precursor rather than as a pharmacologically active compound. Derivatives of this compound have been synthesized and evaluated for antioxidant activities. As a chemical intermediate, its "activity" is assessed by its reactivity in organic synthesis reactions, including the formation of spiroketal donors and complexes with carbenes.
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| ln Vivo |
In vivo activity is not applicable for 1,3-dimethoxybenzene as it is not a therapeutic compound. The compound is used as a flavoring agent in food applications and as a chemical intermediate in organic synthesis. It is not administered as a drug for therapeutic purposes. Any in vivo exposure would be through dietary intake as a flavoring component at very low levels.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable for 1,3-dimethoxybenzene as it is not a pharmacologically active compound with known biological targets. The compound is evaluated through chemical analysis methods including HPLC, GC, and NMR spectroscopy for purity assessment. Its reactivity in organic synthesis reactions is assessed through standard chemical assay methods. The compound is supplied at ≥98% purity for research and industrial applications.
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| Cell Assay |
In vitro cellular assays are not applicable for 1,3-dimethoxybenzene as it is not a biologically active compound for cell-based studies. The compound is used in chemical synthesis and as a flavoring agent. Cell culture studies are not typically performed with this compound. Standard handling involves dissolution in organic solvents for chemical reactions and formulation applications.
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| Animal Protocol |
In vivo animal studies are not applicable for 1,3-dimethoxybenzene as it is not a therapeutic compound. The compound is used as a flavoring agent in food applications and as a chemical intermediate. No animal studies are performed for therapeutic evaluation. The compound is not intended for administration to animals for pharmacological purposes.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable for 1,3-dimethoxybenzene as it is not a therapeutic compound. The compound is a small, lipophilic molecule with molecular weight 138.17 g/mol. As a flavoring agent, it would be expected to be absorbed from the gastrointestinal tract and metabolized by cytochrome P450 enzymes. However, pharmacokinetic studies are not typically performed for this compound in the context of drug development.
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| Toxicity/Toxicokinetics |
Specific toxicity data for 1,3-dimethoxybenzene are limited in the published literature. As a flavoring agent used in the food industry, the compound is generally recognized as safe at the low levels used in food applications. The compound is supplied at ≥98% purity. Standard laboratory safety precautions should be followed when handling the compound. It is not approved for human therapeutic use.
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| References |
[1]. Gregory Michael Shutske, et al. Process for the preparation of 2-chloro-1,3-dimethoxybenzene. EP0067342A1
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| Additional Infomation |
1,3-Dimethoxybenzene is a type of methoxybenzene compound. It has been reported that 1,3-dimethoxybenzene exists in the human body, and relevant data are available for reference.
1,3-Dimethoxybenzene (resorcinol dimethyl ether) is an organic compound used as a flavoring agent in the food industry, found naturally in port wine and Roquefort cheese. It has a sweet medicinal odor with hazelnut, resinous, and woody notes. The compound is also used as a chemical intermediate for the preparation of oxathiane spiroketal donors and in the formation of complexes with dichlorocarbene. It is not a drug and has no therapeutic applications. |
| Molecular Formula |
C8H10O2
|
|---|---|
| Molecular Weight |
138.16
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| Exact Mass |
138.068
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| CAS # |
151-10-0
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| Related CAS # |
1,3-Dimethoxybenzene-d10;340257-57-0;1,3-Dimethoxybenzene-d4;362049-44-3;1,3-Dimethoxybenzene-d6;16469-85-5
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| PubChem CID |
9025
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| Appearance |
Colorless to light yellow liquid（Density：1.055 g/cm3）
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
217.5±0.0 °C at 760 mmHg
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| Melting Point |
-52°C
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| Flash Point |
87.8±0.0 °C
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| Vapour Pressure |
0.2±0.4 mmHg at 25°C
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| Index of Refraction |
1.488
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| LogP |
1.93
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
10
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| Complexity |
83.3
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1C=C(OC)C=CC=1
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| InChi Key |
DPZNOMCNRMUKPS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
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| Chemical Name |
1,3-dimethoxybenzene
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.2380 mL | 36.1899 mL | 72.3798 mL | |
| 5 mM | 1.4476 mL | 7.2380 mL | 14.4760 mL | |
| 10 mM | 0.7238 mL | 3.6190 mL | 7.2380 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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