| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
The primary targets of 4-Ethoxyphenol are not well-defined, as it is primarily used as a chemical intermediate. As a phenolic compound, it may act as an antioxidant by scavenging free radicals. It may also interact with enzymes involved in the metabolism of phenolic compounds. These characteristics make it relevant for research in antioxidant chemistry, drug metabolism, and organic synthesis.
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|---|---|
| ln Vitro |
In vitro, 4-Ethoxyphenol is used as a chemical intermediate in the synthesis of pharmaceuticals, agrochemicals, and fragrances. It is also a metabolite of phenacetin and is used in drug metabolism studies. The compound has demonstrated antioxidant activity in various assays. These in vitro activities support its use in synthetic chemistry, drug metabolism, and antioxidant research.
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| ln Vivo |
In vivo, 4-Ethoxyphenol is a metabolite of phenacetin and may be formed following the metabolism of other ethoxy-containing compounds. Its specific in vivo effects have not been extensively characterized. The compound is not used as a therapeutic agent but serves as a research chemical and synthetic intermediate.
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| Enzyme Assay |
In vitro antioxidant assays for 4-Ethoxyphenol include DPPH, ABTS, and FRAP radical scavenging assays. The compound is incubated with radical-generating systems at concentrations ranging from 0.1-1000 μM, and scavenging activity is measured spectrophotometrically. Its metabolism can be studied using liver microsomes or recombinant enzymes. All assays include appropriate controls and reference compounds.
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| Cell Assay |
In vitro cell-based assays for 4-Ethoxyphenol are conducted using various cell lines to assess its antioxidant and cytotoxic effects. Cells are treated with compound concentrations ranging from 0.1-1000 μM for 24-72 hours. ROS levels are measured using fluorescent probes. Cell viability is assessed using MTT assays. Experiments include vehicle controls and positive controls.
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| Animal Protocol |
In vivo animal studies with 4-Ethoxyphenol are limited, as the compound is primarily used as a research chemical. Pharmacokinetic and metabolism studies may be conducted. The compound is administered via oral or intravenous routes at doses ranging from 1-50 mg/kg. Each group consists of 6-10 animals with appropriate controls.
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
Known metabolites of 4-ethoxyphenol include (2S,3S,4S,5R)-6-(4-ethoxyphenoxy)-3,4,5-trihydroxyoxacyclohexane-2-carboxylic acid. Pharmacokinetic properties of 4-Ethoxyphenol have not been extensively characterized. As a small, moderately lipophilic molecule, it is expected to have good oral bioavailability. Metabolism likely occurs through O-deethylation and conjugation, with elimination via renal excretion. Detailed PK parameters require further investigation. |
| Toxicity/Toxicokinetics |
Toxicological data for 4-Ethoxyphenol are limited. No significant toxicity has been reported. As with all research chemicals, appropriate safety precautions should be taken during handling.
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| References | |
| Additional Infomation |
4-Ethoxyphenol belongs to the phenolic class of compounds and is also an aromatic ether. It has been reported that star anise contains 4-ethoxyphenol, and relevant data is available for reference.
4-Ethoxyphenol is a phenolic compound used as a chemical intermediate in the synthesis of pharmaceuticals, agrochemicals, and fragrances. It is a metabolite of phenacetin and has antioxidant properties. Used in organic synthesis, drug metabolism, and antioxidant research. Not approved for clinical therapeutic use; intended for research purposes only. |
| Molecular Formula |
C₈H₁₀O₂
|
|---|---|
| Molecular Weight |
138.16
|
| Exact Mass |
138.068
|
| CAS # |
622-62-8
|
| PubChem CID |
12150
|
| Appearance |
Off-white to light brown solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
246.4±13.0 °C at 760 mmHg
|
| Melting Point |
64-67 °C
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| Flash Point |
124.0±4.8 °C
|
| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.527
|
| LogP |
1.84
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
10
|
| Complexity |
85.3
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
LKVFCSWBKOVHAH-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H10O2/c1-2-10-8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H3
|
| Chemical Name |
4-ethoxyphenol
|
| Synonyms |
4Ethoxyphenol; 4 Ethoxyphenol
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~723.80 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.09 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (18.09 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (18.09 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.2380 mL | 36.1899 mL | 72.3798 mL | |
| 5 mM | 1.4476 mL | 7.2380 mL | 14.4760 mL | |
| 10 mM | 0.7238 mL | 3.6190 mL | 7.2380 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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