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| Other Sizes |
| Targets |
Methyltrioctylammonium hydrogen sulfate does not have a defined biological target as it is a phase transfer catalyst and surfactant rather than a pharmacologically active compound. Its function is chemical and physicochemical—it facilitates reactions between reactants in different phases as a phase transfer catalyst (PTC), enhancing the efficiency of chemical processes. In biological systems, quaternary ammonium surfactants can disrupt cell membranes, but this is a non-specific effect. The compound is not designed for therapeutic use and has no specific receptor or enzyme targets. Its interactions are based on its surfactant properties and ionic nature.
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| ln Vitro |
Methyltrioctylammonium hydrogen sulfate is a biochemical reagent that can be utilized in research pertaining to life sciences as an organic compound or biological material.
In vitro, methyltrioctylammonium hydrogen sulfate exhibits no pharmacological activity as it is a chemical reagent. Its utility is demonstrated as a phase transfer catalyst used with sodium tungstate dihydrate for greener oxidation under Noyori's conditions. The compound is also used as an extraction solvent, surfactant, and ionic liquid. In cell-based assays, the compound is not tested for biological activity. Its role is strictly chemical—facilitating phase transfer reactions and serving as an electrolyte. No specific pharmacological data are available. |
| ln Vivo |
Methyltrioctylammonium hydrogen sulfate is not a pharmacologically active agent and does not exhibit in vivo therapeutic activity. It is used as a phase transfer catalyst, extraction solvent, and electrolyte in various chemical and industrial applications. The compound is not intended for human or animal exposure. It is used exclusively in laboratory and industrial settings. No therapeutic efficacy has been reported for this compound. The compound is not administered to animals in pharmacological studies and has no known physiological effects.
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| Enzyme Assay |
In vitro assays for methyltrioctylammonium hydrogen sulfate focus on its phase transfer catalysis properties rather than receptor binding. A standard protocol for Noyori oxidation involves using the compound as a phase transfer catalyst with sodium tungstate dihydrate, hydrogen peroxide, and phosphonic acid. The efficiency of the catalyst is measured by reaction yield and selectivity. For quality control, the compound is characterized by NMR, HPLC, and titration. Purity is typically ≥99%. Melting point determination (61-65°C) is also used for quality control.
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| Cell Assay |
Cell-based experiments are not performed with methyltrioctylammonium hydrogen sulfate, as it is a chemical reagent rather than a test compound for biological activity. The compound is used exclusively in chemical synthesis and catalysis applications. 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 methyltrioctylammonium hydrogen sulfate, 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 chemical synthesis, catalysis, and electrochemical devices. No in vivo efficacy or safety studies have been reported for this compound.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of methyltrioctylammonium hydrogen sulfate are not characterized as it is not a drug substance. Based on its physicochemical properties (molecular weight 465.77, high lipophilicity due to three octyl chains, logP approximately 5-6), the compound would be expected to have very low oral bioavailability due to poor water solubility and high molecular weight. If absorbed, it would likely distribute extensively to lipid-rich tissues and be slowly eliminated. The compound may undergo metabolism via N-dealkylation. However, the compound is not intended for human exposure and has not been evaluated in formal pharmacokinetic studies.
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| Toxicity/Toxicokinetics |
Toxicological data for methyltrioctylammonium hydrogen sulfate indicate that it may be a skin and eye irritant. 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 under inert atmosphere at room temperature. No acute toxicity data are available. The compound is not intended for drug, household, or other uses.
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| Additional Infomation |
Methyltrioctylammonium hydrogen sulfate is a quaternary ammonium salt used as a phase transfer catalyst, extraction solvent, surfactant, and ionic liquid. It is used with sodium tungstate dihydrate for greener oxidation under Noyori's conditions and as an electrolyte in electrochemical devices such as batteries and fuel cells. The compound is also known as MTOAHS and methyltri-n-octylammonium hydrogen sulfate. It has not undergone clinical trials and is not approved as a pharmaceutical. Its mechanism of action is physicochemical—facilitating phase transfer and ionic conductivity.
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| Molecular Formula |
C25H55NO4S
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|---|---|
| Molecular Weight |
465.77
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| Exact Mass |
465.385
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| CAS # |
59158-14-4
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| PubChem CID |
10939560
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| Appearance |
Colorless to light yellow viscous liquid
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| Melting Point |
61-65ºC
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| LogP |
8.599
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
21
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| Heavy Atom Count |
31
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| Complexity |
296
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(=O)(=O)([O-])O[H].[N+](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
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| InChi Key |
MWSPFHZPVVWJCO-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C25H54N.H2O4S/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;1-5(2,3)4/h5-25H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
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| Chemical Name |
hydrogen sulfate;methyl(trioctyl)azanium
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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, 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) |
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 | 2.1470 mL | 10.7349 mL | 21.4698 mL | |
| 5 mM | 0.4294 mL | 2.1470 mL | 4.2940 mL | |
| 10 mM | 0.2147 mL | 1.0735 mL | 2.1470 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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