| Size | Price | |
|---|---|---|
| Other Sizes |
| ln Vitro |
utilized in chemical synthesis as well as a heat-transfer medium
|
|---|---|
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
Diphenyl ether exhibits up to 90% absorption in rats and rabbits after oral administration, regardless of dose. Data regarding skin absorption are contradictory. In rats, after a semi-occlusive application of 10-1000 mg/kg diphenyl ether to shaved skin, nearly 20% of the dose was absorbed, as determined by urinary excretion. However, in in vitro diffusion experiments, only 0.3% (rat skin) or 0.2% (human skin) of diphenyl ether permeated the skin. The higher absorption rate in in vivo may be due to the excipient (diethyl phthalate) and partial oral absorption after removal of the occlusive agent. In rats, after intraperitoneal injection of diphenyl ether, it was distributed to all organs and tissues within 1 hour, with the highest concentrations in the liver, lungs, kidneys, and spleen. …In rabbits, diphenyl ether was excreted in the urine as p-hydroxyphenylphenyl ether, not as the original ether form. (Pathway not specified) Metabolism/Metabolites ...In rabbits, the ether bonds of phenyl ethers did not break. The main metabolite was p-hydroxylated ether, excreted in free form (15%) and in combination with glucuronic acid (63%) and sulfuric acid (12%). Another metabolite was also isolated from rabbit urine and was predominantly identified as di(p-hydroxyphenyl) ether. Subcellular fractions of trout liver homogenate primarily metabolized diphenyl ether to 4-hydroxy derivatives and contained trace amounts of other compounds, including 3-hydroxy derivatives and possibly 4,4'-dihydroxy derivatives. Sphingomonas SS3 strain, which uses diphenyl ether as both a carbon and energy source, was enriched from soil samples from industrial waste dumps. In batch culture experiments, phenol and catechol were produced as intermediates during the degradation of diphenyl ether, which subsequently entered the 3-oxoadipic acid pathway. The initial steps of degradation follow a recently discovered 1,2-dioxygenation mechanism, which generates an unstable phenolic hemiacetal from the diphenyl ether structure. Screening of selected fungi showed that Cunninghamella echinulata was best suited for studies on the hydroxylation of diphenyl ethers. The process, depending on culture conditions, yielded up to 76% 4-hydroxybiphenyl oxide and approximately 6% 4,4'-dihydroxybiphenyl oxide. |
| Additional Infomation |
Diphenyl ether is a colorless liquid with a slightly pleasant odor. It may float or sink in water. Its freezing point is 81°F (27°C). (US Coast Guard, 1999)
Diphenyl ether is an aromatic ether in which an oxygen atom is attached to two phenyl substituents. It is found in muscat grapes and vanilla. It is a plant metabolite. Diphenyl ether has been reported in European grapes (Vitis vinifera) and mangoes (Mangifera indica), and there is relevant data. |
| Molecular Formula |
C12H10O
|
|---|---|
| Molecular Weight |
170.21
|
| Exact Mass |
170.073
|
| CAS # |
101-84-8
|
| Related CAS # |
Diphenyl ether-d10;93952-05-7
|
| PubChem CID |
7583
|
| Appearance |
Colorless crystals or liquid
Colorless, crystalline solid or liquid (above 82 degrees F) |
| Density |
1.073
|
| Boiling Point |
259 ºC
|
| Melting Point |
26-30 ºC
|
| Flash Point |
115 ºC
|
| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.5795-1.5815
|
| LogP |
4.21
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
13
|
| Complexity |
116
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C1C([H])=C([H])C([H])=C([H])C=1[H])C1C([H])=C([H])C([H])=C([H])C=1[H]
|
| InChi Key |
USIUVYZYUHIAEV-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
|
| Chemical Name |
phenoxybenzene
|
| 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) |
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
|
|---|---|
| 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 | 5.8751 mL | 29.3755 mL | 58.7510 mL | |
| 5 mM | 1.1750 mL | 5.8751 mL | 11.7502 mL | |
| 10 mM | 0.5875 mL | 2.9375 mL | 5.8751 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.