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| Other Sizes |
| Targets |
Tetraoctylammonium bromide 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 the transfer of reactants between immiscible phases through ion-pair formation. In biological systems, quaternary ammonium surfactants can disrupt cell membranes by intercalating into lipid bilayers, but this is a non-specific effect. TOAB 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 |
Tetraoctylammonium bromide is a biochemical reagent that can be utilized in research pertaining to life sciences as an organic compound or biological material.
In vitro, tetraoctylammonium bromide exhibits no pharmacological activity as it is a phase transfer catalyst. Its utility is demonstrated in organic synthesis, where it facilitates reactions between aqueous and organic phases. The compound is also used as a surfactant and dispersant in industrial applications. In cell-based assays, quaternary ammonium surfactants can cause concentration-dependent cytotoxicity due to membrane disruption. However, TOAB is not used as a therapeutic agent. Its role is strictly chemical—facilitating chemical reactions and controlling nanoparticle synthesis. |
| ln Vivo |
Tetraoctylammonium bromide is not a pharmacologically active agent and does not exhibit in vivo therapeutic activity. It is used as a phase transfer catalyst and surfactant in chemical and industrial applications. When administered systemically, quaternary ammonium compounds can cause toxicity due to membrane disruption and interference with ion channels. However, TOAB 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.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable to tetraoctylammonium bromide as it is not a biologically active compound with specific targets. Standard characterization of this surfactant includes measurement of surface activity, determination of critical micelle concentration, and assessment of phase transfer efficiency. For nanoparticle synthesis applications, a typical protocol involves dissolving TOAB in toluene and adding an aqueous solution of gold tetrachloroaurate. The gold salt is transferred to the organic phase, followed by reduction with sodium borohydride to form gold nanoparticles. Quality control includes NMR and purity analysis.
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| Cell Assay |
Cell-based assays with tetraoctylammonium bromide are typically cytotoxicity studies to assess the safety of the surfactant. A standard protocol involves culturing mammalian cells (e.g., HEK-293 or HeLa cells) in 96-well plates until 70-80% confluence. The surfactant is serially diluted in culture medium (typically 0-1000 µg/mL) and added to cells for 24-48 hours. Cell viability is assessed using MTT or resazurin reduction assays, with IC₅₀ values calculated from dose-response curves. Membrane integrity can be evaluated using LDH release assays. Positive controls (e.g., Triton X-100) and vehicle controls are included.
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| Animal Protocol |
In vivo animal studies with tetraoctylammonium bromide are limited to toxicological evaluations. Standard protocols for oral toxicity testing in rodents follow OECD guidelines. The compound is administered by gavage at doses ranging from 100-2000 mg/kg, and animals are monitored for 14 days for mortality, body weight changes, and clinical signs. For dermal studies, the compound is applied to shaved skin and observed for signs of irritation. Histopathological examination of major organs is performed at study termination. The compound is not used in efficacy studies as it is not a therapeutic agent.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of tetraoctylammonium bromide are not characterized as it is not a drug substance. Based on its physicochemical properties (molecular weight 546.79, high lipophilicity due to four octyl chains, logP approximately 8-10), the compound is 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, TOAB is not intended for human exposure and has not been evaluated in formal pharmacokinetic studies.
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| Toxicity/Toxicokinetics |
Toxicological data for tetraoctylammonium bromide indicate that it is a skin and eye irritant. The compound is not classified as a carcinogen or mutagen based on available data. Acute oral toxicity is expected to be moderate to low. The compound should be handled with appropriate personal protective equipment including gloves, safety glasses, and protective clothing. In case of skin contact, wash with soap and water; for eye contact, rinse thoroughly with water for 15 minutes. The compound is soluble in water, acetone, dichloromethane, and chloroform.
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| Additional Infomation |
Phase transfer reagents
Tetraoctylammonium bromide is a widely used phase transfer catalyst in organic synthesis, facilitating reactions between aqueous and organic phases. It is also used as a surfactant and dispersant in the production of coatings, adhesives, and polymers. In nanoparticle synthesis, TOAB is used to control particle size and shape, particularly in the two-phase synthesis of alkanethiol-stabilized gold nanoparticles. The compound is also known as tetra-n-octylammonium bromide. It has not undergone clinical trials and is not approved as a pharmaceutical. Its mechanism of action is physicochemical—facilitating phase transfer and surfactant-mediated processes. |
| Molecular Formula |
C32H68BRN
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|---|---|
| Molecular Weight |
546.79
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| Exact Mass |
545.453
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| CAS # |
14866-33-2
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| PubChem CID |
2734117
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| Appearance |
White to off-white solid powder
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| Melting Point |
95-98 °C(lit.)
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| Flash Point |
Not expected to be a fire hazard
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| LogP |
8.249
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
28
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| Heavy Atom Count |
34
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| Complexity |
281
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[Br-].[N+](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])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 |
QBVXKDJEZKEASM-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C32H68N.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1
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| Chemical Name |
tetraoctylazanium;bromide
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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) |
DMSO: 100 mg/mL (182.89 mM)
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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 | 1.8289 mL | 9.1443 mL | 18.2886 mL | |
| 5 mM | 0.3658 mL | 1.8289 mL | 3.6577 mL | |
| 10 mM | 0.1829 mL | 0.9144 mL | 1.8289 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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