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Octanal-d16 is the deuterated form of octanal. Octanal is an aliphatic aldehyde. The isotopic modification of octanal-d16 significantly enhances the compound's stability and makes it particularly useful for analytical and spectroscopic studies, such as NMR and mass spectrometry.
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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 in vitro activity of Octanal-d16 as a chemical standard is its primary function. It is not typically used to elicit a biological response but rather as an analytical tool for the study of aliphatic alcohols and carbonyl compounds. |
| ln Vivo |
In vivo, Octanal-d16 is not used as a therapeutic agent. Its applications are primarily in analytical chemistry for method development and compound identification.
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| Enzyme Assay |
The primary application of Octanal-d16 is as a labeled internal standard or derivatization reagent in GC-MS. It is used for deuterium exchange in the column of a gas chromatograph-mass spectrometer to study aliphatic alcohols and carbonyl compounds.
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| Cell Assay |
Octanal-d16 is not typically used in cellular assays as a bioactive compound. Its use is confined to analytical and spectroscopic studies.
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| Animal Protocol |
Octanal-d16 is not used in animal studies as a pharmacological agent. Its applications are in analytical chemistry.
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| ADME/Pharmacokinetics |
Octanal-d16 has a molecular weight of 144.31 and an isotopic purity of ≥98 atom% D. It should be stored in a tightly closed container in a cool, dry, well-ventilated area.
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| Toxicity/Toxicokinetics |
Octanal-d16 is intended for research use only. As a stable isotope-labeled compound, it is non-radioactive and poses minimal risk.
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| References | |
| Additional Infomation |
Octanal-d16 is a perdeuterated internal standard used for the analysis of aliphatic aldehydes and alcohols by GC-MS. It is a valuable tool for analytical and spectroscopic studies.
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| Molecular Formula |
C8D16O
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|---|---|
| Molecular Weight |
144.31
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| Exact Mass |
144.221
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| CAS # |
1219794-66-7
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| Related CAS # |
Octanal;124-13-0
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| PubChem CID |
71751283
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| Appearance |
Colorless to light yellow liquid
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| LogP |
2.545
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
9
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| Complexity |
59.6
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCCCCC=O
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| InChi Key |
NUJGJRNETVAIRJ-ZEFOBESCSA-N
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| InChi Code |
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D
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| Chemical Name |
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecadeuteriooctan-1-one
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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 | 6.9295 mL | 34.6476 mL | 69.2953 mL | |
| 5 mM | 1.3859 mL | 6.9295 mL | 13.8591 mL | |
| 10 mM | 0.6930 mL | 3.4648 mL | 6.9295 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.
Products are for research use only; We do not sell to patients
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