| Size | Price | |
|---|---|---|
| Other Sizes |
Purity: ≥95%
| Targets |
Flavoring agent
Ethyl docos-13-enoate does not have a specific biological target as it is primarily used as a flavoring agent rather than a therapeutic compound. As a fatty acid ethyl ester, it may be metabolized by esterases to release erucic acid and ethanol, but these are not pharmacological targets. Erucic acid is a long-chain fatty acid that has been studied for its effects on lipid metabolism, but the ester itself is not used as a drug. The compound's main applications are in the food and fragrance industries. |
|---|---|
| ln Vitro |
A biochemical reagent called ethyl docos-13-enoate can be utilized in life science research as an organic substance or biological material.
In vitro activity of Ethyl docos-13-enoate is not characterized in a pharmacological context, as it is used as a flavoring agent. Its chemical properties, such as its floral aroma, are the basis for its applications. The compound may be used as a standard in analytical chemistry for the identification of fatty acid esters in food and cosmetic products. No systematic in vitro pharmacological profiling is performed for this compound. |
| ln Vivo |
In vivo biological activity of Ethyl docos-13-enoate is limited to its metabolism as a fatty acid ester. When ingested, it is likely hydrolyzed by esterases to release erucic acid and ethanol. Erucic acid is a long-chain fatty acid that can be incorporated into lipids and may have effects on lipid metabolism. However, the compound is not used as a therapeutic agent, and its biological effects are not the focus of its applications.
|
| Enzyme Assay |
Non-cellular experiments for Ethyl docos-13-enoate typically involve its characterization as a flavor compound or its analysis in food and cosmetic products. The compound's purity and identity are confirmed by GC and GC-MS. Its fatty acid ester structure makes it a useful standard for the analysis of fatty acid ethyl esters in various matrices. The compound's physical properties, such as its boiling point and density, are also characterized.
|
| Cell Assay |
Cell-based assays are not typically performed with Ethyl docos-13-enoate, as it is primarily used as a flavoring agent and fragrance ingredient. It is not tested in cell culture models for pharmacological activity. The compound's applications in research are limited to the food and fragrance industries.
|
| Animal Protocol |
In vivo animal studies are not performed with this compound in a therapeutic context. Its applications are confined to the food and fragrance industries. No efficacy or safety studies in animal models are available for therapeutic use. The compound is not intended for human or veterinary use as a drug. Researchers should consult safety data sheets for handling and disposal guidelines.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of Ethyl docos-13-enoate are not extensively characterized. Its molecular weight is 366.62 g/mol, and it is a liquid at room temperature. The compound is lipophilic and soluble in organic solvents. When ingested, it is likely hydrolyzed by esterases to erucic acid and ethanol. No detailed pharmacokinetic data are available.
|
| Toxicity/Toxicokinetics |
Toxicological data for Ethyl docos-13-enoate are limited. As a food flavoring agent, it is generally recognized as safe (GRAS) for use in food products. However, high doses of erucic acid have been associated with cardiac effects in animal studies. The compound should be handled with appropriate safety precautions, but it is not considered highly toxic. No carcinogenic or reproductive toxicity data are available.
|
| Additional Infomation |
Ethyl (13Z)-docosahexaenoic acid ester is a long-chain fatty acid ethyl ester formed by the condensation of the carboxyl group of (13Z)-docosahexaenoic acid with the hydroxyl group of ethanol. Functionally, it is related to erucic acid.
Ethyl docos-13-enoate (Ethyl erucate) is a long-chain fatty acid ethyl ester used as a flavoring agent and fragrance ingredient. Its CAS number is 37910-77-3. The compound is available with a purity of ≥95% from various suppliers. It is found naturally in some vegetable oils. The compound is not approved for therapeutic use but is used in the food and fragrance industries. It should be stored in a cool, dry place away from light. |
| Molecular Formula |
C24H46O2
|
|---|---|
| Molecular Weight |
366.62
|
| Exact Mass |
366.35
|
| CAS # |
37910-77-3
|
| PubChem CID |
5364508
|
| Appearance |
Colorless or pale/light yellow liquid
|
| Density |
0.87
|
| Boiling Point |
233ºC / 8.5mmHg
|
| Flash Point |
82.9ºC
|
| Index of Refraction |
1.457
|
| LogP |
8.147
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
21
|
| Heavy Atom Count |
26
|
| Complexity |
309
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC
|
| InChi Key |
WFZQLUSOXHIVKL-QXMHVHEDSA-N
|
| InChi Code |
InChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h11-12H,3-10,13-23H2,1-2H3/b12-11-
|
| Chemical Name |
ethyl (Z)-docos-13-enoate
|
| Synonyms |
Ethyl erucate; Erucic acid ethyl ester; 37910-77-3; Ethyl (Z)-docos-13-enoate; ethyl docos-13-enoate; cis-13-Docosenoic acid ethyl ester; O5A8YB1V2I; MFCD00027405;
|
| 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 | 2.7276 mL | 13.6381 mL | 27.2762 mL | |
| 5 mM | 0.5455 mL | 2.7276 mL | 5.4552 mL | |
| 10 mM | 0.2728 mL | 1.3638 mL | 2.7276 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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