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| Other Sizes |
| Targets |
Dodecyl benzene sulfonic acid is a surfactant, emulsifier, and wetting agent. It is used as a primary surfactant in detergents, wetting agents, and high-foaming cleaners. It is also used as a catalyst for the esterification of fatty acids to produce biodiesel.
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| ln Vitro |
In vitro, Dodecyl benzene sulfonic acid functions as a surfactant and emulsifier. Its amphipathic nature makes it effective in removing dirt and stains from various surfaces. The compound can disrupt lipid bilayers and solubilize membrane proteins. It is used in various biochemical applications as a detergent or emulsifying agent.
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| ln Vivo |
In vivo, Dodecyl benzene sulfonic acid is not used as a therapeutic agent. Its primary applications are in industrial and household cleaning products. The compound is not intended for internal use. Its effects in vivo are limited to its role as a surfactant in external applications. It is used in a variety of oil field functions as a wetting agent, paraffin inhibitor, dispersant, foamer, emulsion breaker, and acidizing agent.
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| Enzyme Assay |
In vitro biochemical assays for Dodecyl benzene sulfonic acid typically involve studying its surfactant properties. Critical micelle concentration (CMC) is determined by surface tension or conductivity measurements. The compound's ability to emulsify oils and solubilize hydrophobic compounds is assessed. Its interaction with proteins and membranes is studied using fluorescence spectroscopy or surface plasmon resonance.
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| Cell Assay |
Cell-based assays for Dodecyl benzene sulfonic acid are limited due to its detergent properties, which can be cytotoxic to cells. When used in cell culture, the compound is typically employed at sub-lytic concentrations for membrane protein solubilization or permeabilization. Cytotoxicity is assessed using viability assays. The compound's effects on membrane integrity and cell permeability can be measured using fluorescent dyes.
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| Animal Protocol |
In vivo animal studies for Dodecyl benzene sulfonic acid are not common, as the compound is not a therapeutic agent. Toxicological studies in animals have been conducted to assess the safety of the compound for use in consumer products. These studies evaluate dermal irritation, eye irritation, and oral toxicity. The compound is generally considered safe for its intended uses.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Dodecyl benzene sulfonic acid are not relevant for therapeutic applications. The compound is not intended for systemic absorption. When ingested, it can cause gastrointestinal irritation. Dermal absorption is minimal. The compound is metabolized and excreted primarily through renal pathways. Its pharmacokinetics are not well-characterized.
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| Toxicity/Toxicokinetics |
Toxicological profile of Dodecyl benzene sulfonic acid is well-established from its use in consumer products. The compound can cause skin and eye irritation. Ingestion can cause gastrointestinal distress. Inhalation of aerosols can cause respiratory irritation. The compound is considered to have low acute toxicity but can be irritating at high concentrations. Chronic exposure studies are limited.
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| Additional Infomation |
See also: Benzenesulfonic acid, C10-16-alkyl derivative. (Note moved to).
Dodecyl benzene sulfonic acid is one of the world's most commonly used anionic surfactants. It is a key ingredient in laundry detergents, dishwashing liquids, and industrial cleaners. The compound is also used as a catalyst in biodiesel production. It is not approved for therapeutic use but is an important industrial chemical. |
| Molecular Formula |
C18H30O3S
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|---|---|
| Molecular Weight |
326.49
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| Exact Mass |
326.192
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| CAS # |
27176-87-0
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| PubChem CID |
29249
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| Appearance |
Colorless to light yellow liquid（Density：1.06 g/cm3）
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| Density |
1.06 g/mL at 20 °C(lit.)
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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 |
n20/D 1.51
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| LogP |
6.477
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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 |
11
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| Heavy Atom Count |
22
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| Complexity |
364
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C1=C([H])C([H])=C([H])C([H])=C1C([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])C([H])([H])C([H])([H])C([H])([H])[H])(=O)(=O)O[H]
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| InChi Key |
QJRVOJKLQNSNDB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H30O3S/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)
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| Chemical Name |
4-dodecan-3-ylbenzenesulfonic acid
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| Synonyms |
Dodecylbenzenesulphonic acid; Dodecyl benzenesulfonate; Dodecyl benzene sulfonic 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 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) |
H2O : ~100 mg/mL (~306.29 mM)
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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