| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
1-Phenylethane-1,2-diol does not have a specific pharmacological target. It is primarily used as a chemical intermediate. In biological systems, it is a metabolite of styrene, formed through the oxidation of styrene to styrene oxide followed by hydrolysis to the diol.
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|---|---|
| ln Vitro |
In vitro, 1-phenylethane-1,2-diol may be used as a substrate in enzymatic studies, particularly for epoxide hydrolase enzymes that catalyze the hydrolysis of styrene oxide to styrene glycol. Its activity as a chemical intermediate is assessed by its reactivity in organic synthesis reactions.
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| ln Vivo |
In vivo, 1-phenylethane-1,2-diol is a metabolite of styrene. It is formed through the hydrolysis of styrene oxide by epoxide hydrolase and is further metabolized to mandelic acid and phenylglyoxylic acid for excretion.
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| Enzyme Assay |
In vitro enzyme assays for 1-phenylethane-1,2-diol typically involve epoxide hydrolase activity measurements, where the formation of the diol from styrene oxide is monitored.
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| Animal Protocol |
In vivo animal studies are not typically performed with 1-phenylethane-1,2-diol as it is a chemical intermediate and metabolite rather than a therapeutic compound.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 1-phenylethane-1,2-diol are relevant in the context of styrene metabolism. The compound is further metabolized to mandelic acid and phenylglyoxylic acid.
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| Toxicity/Toxicokinetics |
Specific toxicity data for 1-phenylethane-1,2-diol are limited. As a chemical intermediate, standard laboratory safety precautions should be followed.
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| References | |
| Additional Infomation |
1-Phenylon-1,2-ethylenediol is a type of benzene compound. It has been reported that 1-phenyl-1,2-ethylenediol has been found in Penicillium concentricum, and relevant data are available for reference.
1-Phenylethane-1,2-diol (styrene glycol) is an organic compound used as a chemical intermediate and is a metabolite of styrene. The compound is not a drug and has no therapeutic applications. |
| Molecular Formula |
C8H10O2
|
|---|---|
| Molecular Weight |
138.16
|
| Exact Mass |
138.068
|
| CAS # |
93-56-1
|
| PubChem CID |
7149
|
| Appearance |
Solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
273.5±0.0 °C at 760 mmHg
|
| Melting Point |
61-67ºC
|
| Flash Point |
145.7±16.4 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.573
|
| LogP |
0.04
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
10
|
| Complexity |
87.3
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
PWMWNFMRSKOCEY-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2
|
| Chemical Name |
1-phenylethane-1,2-diol
|
| 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)
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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 | 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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