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| Other Sizes |
| Targets |
4-Dodecylbenzenesulfonic acid does not have a defined pharmacological target as it is an anionic surfactant and research chemical. The compound serves as a model compound for studying surfactant behavior, protein–lipid interactions, and membrane dynamics. Its primary function is as a surfactant in various applications. It is not designed to interact with biological targets for therapeutic purposes.
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| ln Vitro |
4-Dodecylbenzenesulfonic acid is a biochemical reagent that can be utilized in studies pertaining to life sciences as an organic substance or biological material.
No specific in vitro pharmacological activity data are available for 4-Dodecylbenzenesulfonic acid as it is a surfactant and research chemical. In research settings, the compound is used as a model for studying surfactant behavior and membrane interactions. Its activity is assessed in terms of surface activity and surfactant properties rather than direct biological activity. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 4-Dodecylbenzenesulfonic acid as a therapeutic agent. The compound is used as a surfactant and research chemical. It is not administered to animals for pharmacological evaluation. Its applications are limited to biochemical and industrial research.
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| Enzyme Assay |
For non-cellular assays, 4-Dodecylbenzenesulfonic acid is characterized by standard analytical techniques including HPLC, NMR, and mass spectrometry to confirm identity and purity. Purity is typically ≥95% (mixture of isomers). The compound has a molecular weight of 326.50 and formula C₁₈H₃₀O₃S. Typical protocols involve using the compound as a surfactant in various applications.
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| Cell Assay |
For in vitro cell-based studies, 4-Dodecylbenzenesulfonic acid is not typically used as a direct test compound. It is used as a surfactant and model compound for studying membrane interactions. If handled in a biological laboratory context, appropriate safety precautions should be taken due to the surfactant properties and potential membrane-disrupting effects.
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| Animal Protocol |
For in vivo animal studies, 4-Dodecylbenzenesulfonic acid is not typically administered as a test compound. It is used as a surfactant and research chemical. If used in toxicological studies, it would be administered via appropriate routes with suitable formulations. Standard animal welfare guidelines should be followed.
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| ADME/Pharmacokinetics |
4-Dodecylbenzenesulfonic acid has a molecular weight of 326.50 and formula C₁₈H₃₀O₃S. Purity: typically ≥95% (mixture of isomers). Storage: keep in a cool, dry place protected from light and moisture. The compound is a solid at room temperature. Solubility: soluble in organic solvents.
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| Toxicity/Toxicokinetics |
4-Dodecylbenzenesulfonic acid is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Surfactants should be handled with care. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD₅₀ values and detailed toxicological profiles have not been extensively reported.
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| Additional Infomation |
4-Dodecylbenzenesulfonic acid is a type of dodecylbenzenesulfonic acid compound, which refers to benzenesulfonic acids in which the hydrogen at the 4-position of the benzene ring is replaced by a dodecyl group. See also: Benzenesulfonic acid, 4-C10-13-secondary alkyl derivative. (Note moved to); Dodecylbenzenesulfonic acid (Note moved to).
4-Dodecylbenzenesulfonic acid (CAS 121-65-3) is also known as p-dodecylbenzenesulfonic acid. It is an anionic surfactant widely used in chemical, biochemical, and industrial research. It serves as a model compound for studying surfactant behavior, protein–lipid interactions, and membrane dynamics. No clinical trials or therapeutic approvals exist. |
| Molecular Formula |
C18H30O3S
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|---|---|
| Molecular Weight |
326.49
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| Exact Mass |
326.191
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| CAS # |
121-65-3
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| PubChem CID |
8485
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| Appearance |
Light yellow to brown liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
82 °C
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| Melting Point |
10 °C
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| Flash Point |
85 °F
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| Index of Refraction |
1.510
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| LogP |
6.78
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
22
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| Complexity |
351
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=S(C1=CC=C(CCCCCCCCCCCC)C=C1)(O)=O
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| InChi Key |
KWXICGTUELOLSQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)
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| Chemical Name |
4-dodecylbenzenesulfonic acid
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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 (306.29 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 | 3.0629 mL | 15.3144 mL | 30.6288 mL | |
| 5 mM | 0.6126 mL | 3.0629 mL | 6.1258 mL | |
| 10 mM | 0.3063 mL | 1.5314 mL | 3.0629 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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