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| Other Sizes |
| Targets |
2,4-Diisopropylphenol is a structural isomer of propofol (2,6-diisopropylphenol). While propofol targets the GABA-A receptor to exert its anesthetic effects, 2,4-diisopropylphenol does not have a well-defined biological target as a therapeutic agent. It is primarily used as a reference standard and impurity marker for propofol quality control. The compound exhibits antioxidant properties.
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| ln Vitro |
In cell-free biochemical systems, 2,4-Diisopropylphenol exhibits antioxidant activity. The EC50 value in the Microtox (5 min, 25°C) assay is 2×10⁻⁴ mM. A comparative study found that propofol inhibited membrane lipid peroxidation more effectively than 2,4-diisopropylphenol. These activities demonstrate the compound's ability to scavenge free radicals and inhibit oxidative damage in cell-free systems.
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| ln Vivo |
In cell-based assays, 2,4-Diisopropylphenol may exhibit antioxidant and cytoprotective effects similar to but less potent than propofol. The compound's effects on lipid peroxidation and oxidative stress can be evaluated in various cell lines. However, as an impurity and reference standard, it is primarily used for analytical purposes rather than as a bioactive compound for cellular studies.
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| Enzyme Assay |
The cell-free assay for 2,4-Diisopropylphenol typically involves measuring its antioxidant activity using the Microtox assay or lipid peroxidation inhibition assays. The EC50 value of 2×10⁻⁴ mM is determined from dose-response curves. The compound's ability to inhibit membrane lipid peroxidation can be assessed using purified lipid membranes and oxidative stress inducers. HPLC and GC methods are used for impurity analysis and quality control.
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| Cell Assay |
Cell-based assays for 2,4-Diisopropylphenol involve culturing relevant cell lines and treating them with the compound at concentrations ranging from 0.1 to 1000 μM. The compound's antioxidant effects are assessed by measuring cell viability, reactive oxygen species (ROS) levels, and lipid peroxidation markers. The compound's effects on cell proliferation and apoptosis may also be evaluated. However, its primary use is as an analytical reference standard.
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| Animal Protocol |
There is no established animal experimental protocol for 2,4-Diisopropylphenol as a therapeutic agent. As an impurity standard for propofol, it is not administered to animals for pharmacological studies. The compound may be used in toxicological studies to assess the safety of propofol impurities. Comparative studies with propofol have been conducted to evaluate differences in antioxidant activity.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2,4-Diisopropylphenol have not been extensively characterized as it is not intended for therapeutic use. As a structural isomer of propofol, it may have similar physicochemical properties including high lipophilicity. The compound is typically handled as a chemical standard rather than a pharmaceutical agent. Pharmacokinetic studies would be required for therapeutic development.
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| Toxicity/Toxicokinetics |
2,4-Diisopropylphenol is classified as a chemical reagent and not intended for therapeutic use. Standard laboratory safety precautions should be observed when handling this compound. The compound is typically stored at room temperature in a well-ventilated area. It is classified as a Dangerous Good for transport. Safety data sheets should be consulted for detailed toxicity information.
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| References |
[1]. Yasa Sathyam Reddy , et al. Study on Synthesis, Characterization and Antiproliferative Activity of Novel Diisopropylphenyl Esters of Selected Fatty Acids. J Oleo Sci. 2016;65(1):81-9.
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| Additional Infomation |
2,4-Diisopropylphenol is a research-grade chemical supplied as a reference standard for propofol impurity testing. It is not an approved pharmaceutical and has no clinical trial history. The compound is also known as propofol EP impurity A, 2,4-bis(1-methylethyl)phenol, and propofol impurity A (EP). This product is intended for research and analytical use only and is not for human therapeutic applications.
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| Molecular Formula |
C12H18O
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|---|---|
| Molecular Weight |
178.2707
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| Exact Mass |
178.135
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| CAS # |
2934-05-6
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| PubChem CID |
18048
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| Appearance |
Liquid（Density：0.948 g/cm3）
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
244.0±9.0 °C at 760 mmHg
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| Flash Point |
109.6±7.2 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.513
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| LogP |
4.16
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
13
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| Complexity |
151
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C1C([H])=C([H])C(=C([H])C=1C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
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| InChi Key |
KEUMBYCOWGLRBQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H18O/c1-8(2)10-5-6-12(13)11(7-10)9(3)4/h5-9,13H,1-4H3
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| Chemical Name |
2,4-di(propan-2-yl)phenol
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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 | 5.6095 mL | 28.0473 mL | 56.0947 mL | |
| 5 mM | 1.1219 mL | 5.6095 mL | 11.2189 mL | |
| 10 mM | 0.5609 mL | 2.8047 mL | 5.6095 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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