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| Other Sizes |
| Targets |
2-(4-Chlorophenoxy)ethanol targets chemical reaction pathways as a chemical intermediate rather than biological targets. The compound's phenoxyethanol structure allows for various chemical modifications to generate compounds with diverse biological targets. Its role as a chemical intermediate suggests it can be used to synthesize pharmaceuticals, agrochemicals, and industrial chemicals. Further research is needed to identify any direct biological targets.
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| ln Vitro |
In vitro studies of 2-(4-Chlorophenoxy)ethanol have focused on its role as a chemical intermediate in organic synthesis. The compound's reactivity and stability have been characterized in various chemical reactions. It is used in the synthesis of pharmaceuticals, agrochemicals, and industrial chemicals. These in vitro studies provide foundational data for understanding the compound's utility in organic synthesis.
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| ln Vivo |
In vivo studies of 2-(4-Chlorophenoxy)ethanol are limited as the compound is primarily used as a research chemical and chemical intermediate. Its derivatives may be evaluated in vivo for their biological activities. However, comprehensive in vivo studies specifically targeting 2-(4-Chlorophenoxy)ethanol are not well documented. The compound is intended for research use only.
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| Enzyme Assay |
In vitro chemical assays for 2-(4-Chlorophenoxy)ethanol involve testing its purity and reactivity as a chemical intermediate. The compound's purity and identity are confirmed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy, high-performance liquid chromatography, and mass spectrometry. Its reactivity in chemical reactions is evaluated using standard organic chemistry techniques. All assays are performed with appropriate controls.
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| Cell Assay |
In vitro cell-based assays for 2-(4-Chlorophenoxy)ethanol are limited as the compound is primarily used as a chemical intermediate rather than a biological agent. Its derivatives may be evaluated in cell-based assays for their biological activities. However, comprehensive cell-based studies specifically targeting the parent compound are not well documented. The compound is primarily used in organic synthesis applications.
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| Animal Protocol |
In vivo animal experiments for 2-(4-Chlorophenoxy)ethanol are not well documented as the compound is primarily used as a chemical intermediate rather than a therapeutic agent. For toxicology studies, animals may be administered the compound to evaluate its safety profile. Parameters assessed would include body weight, organ weights, and histopathology. All procedures would comply with institutional animal care and use committee guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 2-(4-Chlorophenoxy)ethanol reflect its nature as a small chlorinated phenoxyethanol. It has a molecular weight of 172.61 and the molecular formula C8H9ClO2. As a small lipophilic molecule, it would be absorbed through the gastrointestinal tract and metabolized through standard xenobiotic pathways in the liver. Complete pharmacokinetic profiling would require further systematic studies.
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| Toxicity/Toxicokinetics |
The toxicity profile of 2-(4-Chlorophenoxy)ethanol has been evaluated in the context of its use as a research chemical. As a chlorinated compound, it may have irritant properties. Proper handling procedures including use of personal protective equipment are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for research purposes only.
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| References |
[1]. Reinhard G. Hanreich. Process for the preparation of 2-(2-chloroethoxy)-benzenesulfonamide. US4806528 A.
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| Additional Infomation |
2-(4-Chlorophenoxy)ethanol is an aromatic ether. Chlorophenol is a known antifungal substance.
2-(4-Chlorophenoxy)ethanol (CAS# 1892-43-9) has the molecular formula C8H9ClO2 and a molecular weight of 172.61. It is a chlorinated phenoxyethanol derivative used as a chemical intermediate in organic synthesis. The compound is used in the synthesis of various pharmaceuticals, agrochemicals, and industrial chemicals. It is intended for research use only. |
| Molecular Formula |
C8H9CLO2
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|---|---|
| Molecular Weight |
172.61
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| Exact Mass |
172.029
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| CAS # |
1892-43-9
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| Related CAS # |
38797-58-9
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| PubChem CID |
15907
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| Appearance |
White to light yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
279.7±15.0 °C at 760 mmHg
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| Melting Point |
30°C
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| Flash Point |
123.0±20.4 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.544
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| LogP |
1.85
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| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
11
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| Complexity |
100
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C([H])=C([H])C(=C([H])C=1[H])OC([H])([H])C([H])([H])O[H]
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| InChi Key |
GEGSSUSEWOHAFE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2
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| Chemical Name |
2-(4-chlorophenoxy)ethanol
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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 | 5.7934 mL | 28.9670 mL | 57.9341 mL | |
| 5 mM | 1.1587 mL | 5.7934 mL | 11.5868 mL | |
| 10 mM | 0.5793 mL | 2.8967 mL | 5.7934 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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