| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 1g | |||
| Other Sizes |
| Targets |
Phenylmethan-d2-ol does not have a biological target as it is an analytical standard. Its non-deuterated form, benzyl alcohol, is an aromatic alcohol with mild local anesthetic and preservative properties. The labeled compound is used as an internal standard for the quantification of benzyl alcohol in pharmaceutical and environmental samples.
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|---|---|
| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
The labeled compound does not possess in vitro biological activity. Benzyl alcohol is a solvent and preservative that is not pharmacologically active. The labeled compound is used as an analytical standard for the quantification of benzyl alcohol, not for evaluating its own biological activity. |
| ln Vivo |
Phenylmethan-d2-ol does not have in vivo biological activity and is not used for therapeutic purposes. Benzyl alcohol is used as a solvent, preservative, and flavoring agent. The labeled compound is used as an internal standard for the quantification of benzyl alcohol in pharmaceutical and environmental samples.
|
| Enzyme Assay |
In vitro assays for phenylmethan-d2-ol focus on its use as an analytical standard. A standard protocol involves preparing a solution of the compound in an appropriate solvent (e.g., methanol) and using it as an internal standard for GC-MS or LC-MS analysis of benzyl alcohol in pharmaceutical formulations, food products, or environmental samples. The compound is added to samples before extraction and analysis. Quantification is performed by monitoring specific mass transitions.
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| Cell Assay |
Cell-based experiments are not performed with phenylmethan-d2-ol, as it is an analytical standard. The compound is used exclusively in analytical chemistry applications.
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| Animal Protocol |
In vivo animal studies are not conducted with phenylmethan-d2-ol. When used in toxicokinetic studies, the labeled compound serves as an internal standard for the quantification of benzyl alcohol in animal tissues or biological fluids.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of phenylmethan-d2-ol are not characterized, as it is not a drug substance. Benzyl alcohol is absorbed after ingestion or dermal exposure and is metabolized to benzoic acid. The labeled compound is used as an internal standard for biomonitoring studies.
|
| Toxicity/Toxicokinetics |
Phenylmethan-d2-ol is not a therapeutic agent and has not been evaluated for toxicity in humans. Benzyl alcohol is generally recognized as safe at low concentrations but can be toxic at high doses. Standard laboratory safety precautions should be followed when handling this compound, including the use of gloves and safety glasses.
|
| References | |
| Additional Infomation |
Phenylmethan-d2-ol is a stable isotope-labeled internal standard used for the quantification of benzyl alcohol in pharmaceutical, food, and environmental samples. It is also known as dideutero(phenyl)methanol. The compound is used in analytical method development, quality control, and synthetic labeling.
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| Molecular Formula |
C7H6D2O
|
|---|---|
| Molecular Weight |
110.15
|
| Exact Mass |
110.07
|
| CAS # |
21175-64-4
|
| Related CAS # |
Benzyl alcohol;100-51-6
|
| PubChem CID |
12203065
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
204.7±0.0 °C at 760 mmHg
|
| Melting Point |
-16--13ºC(lit.)
|
| Flash Point |
93.9±0.0 °C
|
| Vapour Pressure |
0.2±0.4 mmHg at 25°C
|
| Index of Refraction |
1.546
|
| LogP |
1.03
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
8
|
| Complexity |
55.4
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C(C1C=CC=CC=1)([2H])O
|
| InChi Key |
WVDDGKGOMKODPV-NCYHJHSESA-N
|
| InChi Code |
InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2/i6D2
|
| Chemical Name |
dideuterio(phenyl)methanol
|
| 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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
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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 | 9.0785 mL | 45.3926 mL | 90.7853 mL | |
| 5 mM | 1.8157 mL | 9.0785 mL | 18.1571 mL | |
| 10 mM | 0.9079 mL | 4.5393 mL | 9.0785 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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