| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Benzyl alcohol-d1 does not have a specific pharmacological target as it is a stable isotope-labeled tracer. Benzyl alcohol itself is an aromatic alcohol used as a preservative and solvent. The deuterated form is used as a tracer in drug development and metabolic studies.
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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].
In vitro activity of Benzyl alcohol-d1 is not evaluated as a bioactive compound. Its utility lies in its role as a tracer and internal standard for mass spectrometry-based quantification. It is used in analytical method development to accurately measure benzyl alcohol levels in biological samples. |
| ln Vivo |
In vivo, Benzyl alcohol-d1 is not administered as a therapeutic agent. It is used as a tracer in research studies to quantify benzyl alcohol in biological samples. Benzyl alcohol is an aromatic alcohol used as a preservative. The deuterated compound ensures accurate measurement by compensating for matrix effects in mass spectrometry analysis.
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| Enzyme Assay |
In vitro enzyme assays with Benzyl alcohol-d1 typically involve using the compound as an internal standard in assays that measure benzyl alcohol metabolism or related pathways. The deuterated standard is added to samples to control for extraction efficiency and ionization suppression in mass spectrometry analysis. Standard protocols involve spiking samples with the deuterated standard and analyzing by GC-MS or LC-MS.
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| Cell Assay |
Benzyl alcohol-d1 is not typically used in cell culture experiments as a bioactive compound for treating cells. However, it may be employed as an internal standard in cell-based studies investigating benzyl alcohol metabolism or its effects on cells. Its role is strictly analytical rather than biological.
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| Animal Protocol |
In vivo animal experiments with Benzyl alcohol-d1 typically involve using the compound as an internal standard in pharmacokinetic or metabolic studies of benzyl alcohol. Animals are administered benzyl alcohol, and blood, urine, and tissue samples are collected. The deuterated standard is added to samples to quantify benzyl alcohol by GC-MS or LC-MS.
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| ADME/Pharmacokinetics |
The pharmacokinetic (PK) properties of Benzyl alcohol-d1 are relevant to its use as an internal standard. The deuterated compound has essentially identical physicochemical properties to the unlabeled benzyl alcohol, making it an ideal internal standard for PK studies. It co-elutes with the analyte during chromatography and has similar ionization efficiency in mass spectrometry.
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| Toxicity/Toxicokinetics |
Benzyl alcohol-d1 has a low toxicity profile consistent with its use as an analytical standard. Benzyl alcohol is used as a preservative and is generally safe at low concentrations. The deuterium label does not introduce additional toxicity. Standard laboratory safety practices are sufficient for handling.
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| References | |
| Additional Infomation |
Benzyl alcohol-d1 is a deuterium-labeled form of benzyl alcohol, an aromatic alcohol that is a colorless liquid with a mild aromatic odor. It is used as a tracer in drug development for quantitation during the drug development process. The compound is not a drug and has no therapeutic indications. It is available for laboratory research use only.
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| Molecular Formula |
C7H7DO
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|---|---|
| Molecular Weight |
109.14
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| Exact Mass |
109.063
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| CAS # |
14915-25-4
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| Related CAS # |
Benzyl alcohol;100-51-6
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| PubChem CID |
58680696
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
204.7±0.0 °C at 760 mmHg
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| Flash Point |
93.9±0.0 °C
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| Vapour Pressure |
0.2±0.4 mmHg at 25°C
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| Index of Refraction |
1.546
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| LogP |
1.03
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
8
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| Complexity |
55.4
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(CO[2H])C=CC=CC=1
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| InChi Key |
WVDDGKGOMKODPV-BNEYPBHNSA-N
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| InChi Code |
InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2/i8D
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| Chemical Name |
deuteriooxymethylbenzene
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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 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)
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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 | 9.1625 mL | 45.8127 mL | 91.6254 mL | |
| 5 mM | 1.8325 mL | 9.1625 mL | 18.3251 mL | |
| 10 mM | 0.9163 mL | 4.5813 mL | 9.1625 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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