| Size | Price | |
|---|---|---|
| Other Sizes |
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
DATA OBTAINED FROM MEASUREMENTS OF DESORPTION OF PHENOLIC CMPD FROM HUMAN STRATUM CORNEUM WERE TREATED TO GIVE ESTIMATES OF STRATUM CORNEUM-H20 PARTITION COEFFICIENTS AND OF THE RELATIVE DIFFUSION COEFFICIENTS OF PHENOLIC CMPD IN STRATUM CORNEUM. Metabolism / Metabolites FROM A DOSE OF 100 MG/KG /ETHYLBENZENE/ ADMIN ORALLY TO RAT... URINARY METABOLITES P-ETHYLPHENOL...ABOUT 0.3%, & SMALLER QUANTITIES OF 1- & 2-PHENYLETHANOL... YIELDS P-ETHYLANISOLE IN THE GUINEA PIG. /FROM TABLE/ 4-Ethylphenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-ethylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid. |
|---|---|
| Toxicity/Toxicokinetics |
Toxicity Summary
Metabolized to 1- and 2- phenylethanol (A622). Interactions VITILIGO MAY BE DUE TO INHIBITION OF MELANOGENESIS BY PHENOLIC DEGRADATION PRODUCTS PRODUCED IN VIVO. P-ETHYLPHENOL WAS ACTIVE IN INHIBITING PIGMENT FORMATION FROM DOPA BY HUMAN & GUINEA PIG SKIN IN VITRO. |
| References | |
| Additional Infomation |
4-ethylphenol is a member of the class of phenols carrying an ethyl substituent at position 4. It has a role as a fungal xenobiotic metabolite.
4-Ethylphenol has been reported in Brettanomyces anomalus, Gossypium hirsutum, and other organisms with data available. 4-Ethylphenol is found in arabica coffee. 4-Ethylphenol (4-EP) is a phenolic compound produced in wine and beer by the spoilage yeast Brettanomyces. (Wikipedia) 4-Ethylphenol belongs to the family of Phenols and Derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group. 4-Ethylphenol is a metabolite found in or produced by Saccharomyces cerevisiae. Mechanism of Action THE MIN INHIBITORY CONCN (MIC) OF 4-ETHYLPHENOL AGAINST ESCHERICHIA COLI WAS 695 UG/ML. 4-ETHYLPHENOL CAUSES AN INCR IN THE PERMEABILITY OF THE CELL MEMBRANE TO MOLECULES SMALLER THAN TRICARBOXYLIC ACID CYCLE INTERMEDIATES, RESULTING IN AN APPARENT UNCOUPLING EFFECT. |
| Molecular Formula |
C8H10O
|
|---|---|
| Molecular Weight |
122.1644
|
| Exact Mass |
122.073
|
| CAS # |
123-07-9
|
| Related CAS # |
4-Ethylphenol-d5;340256-40-8;4-Ethylphenol-d10;352431-18-6
|
| PubChem CID |
31242
|
| Appearance |
White to off-white solid powder
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
219.0±0.0 °C at 760 mmHg
|
| Melting Point |
40-42 °C(lit.)
|
| Flash Point |
100.6±0.0 °C
|
| Vapour Pressure |
0.1±0.4 mmHg at 25°C
|
| Index of Refraction |
1.537
|
| LogP |
2.47
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
9
|
| Complexity |
72.6
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
HXDOZKJGKXYMEW-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
|
| Chemical Name |
4-ethylphenol
|
| 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 : ~60 mg/mL (~491.12 mM)
H2O : ~2.63 mg/mL (~21.53 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (20.46 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 (20.46 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 (20.46 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 4.55 mg/mL (37.24 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication (<60°C). |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.1860 mL | 40.9299 mL | 81.8599 mL | |
| 5 mM | 1.6372 mL | 8.1860 mL | 16.3720 mL | |
| 10 mM | 0.8186 mL | 4.0930 mL | 8.1860 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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