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| Other Sizes |
| Targets |
Methyl tridecanoate does not have a specific biological target or receptor. As a fatty acid methyl ester, it is primarily used as a reference standard and analytical reagent in lipid chemistry and chromatography. It may serve as a substrate or internal standard in studies of fatty acid metabolism, but it does not have a defined pharmacological target. The compound's lack of specific biological activity makes it unsuitable for drug development applications.
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| ln Vitro |
In vitro, Methyl tridecanoate is used as a reference standard in analytical chemistry, particularly in gas chromatography (GC) and high-performance liquid chromatography (HPLC) for the identification and quantification of fatty acid methyl esters. It is also used as a model compound in studies of lipid metabolism and fatty acid oxidation. The compound does not exhibit significant biological activity in cell-based assays. Its primary in vitro application is in analytical method development and validation.
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| ln Vivo |
In vivo, Methyl tridecanoate has no known therapeutic or biological effects. As a fatty acid methyl ester, it may be metabolized to tridecanoic acid, which can be utilized in fatty acid metabolism pathways. However, the compound is not used for therapeutic purposes. Its primary in vivo applications are in research studies involving lipid metabolism, where it may be used as a tracer or internal standard. The compound is not intended for human consumption.
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| Enzyme Assay |
For non-cell-based receptor binding assays, Methyl tridecanoate is not typically used for receptor binding studies. Its primary application is as an analytical standard in chromatography. The compound can be characterized using gas chromatography-mass spectrometry (GC-MS) or high-performance liquid chromatography (HPLC) for purity analysis and identification. Its physicochemical properties, including boiling point, retention time, and mass spectrum, are well-characterized and used for compound identification in complex mixtures.
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| Cell Assay |
For in vitro cellular assays, Methyl tridecanoate is not typically used for cell-based functional assays. It may be used in studies of fatty acid uptake and metabolism, where cells are treated with the compound and fatty acid oxidation or incorporation into lipids is measured. However, its primary use is as an analytical standard rather than a pharmacological tool. The compound's lack of significant biological activity makes it unsuitable for most cell-based assays.
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| Animal Protocol |
For in vivo animal studies, Methyl tridecanoate is not typically used for therapeutic or pharmacological studies. It may be used in metabolic studies where it is administered to animals and its metabolism and distribution are tracked using analytical methods. However, its primary use is as an analytical standard rather than a research tool for in vivo studies. The compound is not intended for therapeutic applications in animals.
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| ADME/Pharmacokinetics |
Methyl tridecanoate has a molecular weight of 228.38 g/mol and a molecular formula of C14H28O2. It is a clear colorless liquid at room temperature with a melting point of 6.5°C and a density of 0.867±0.06 g/cm3. It is practically insoluble in water (0.02 g/L at 25°C). The compound should be stored at room temperature in a cool and dark place (<15°C). It is available in high purity (97%).
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| Toxicity/Toxicokinetics |
Toxicity Summary
It is safe at the current usage and concentration. Ingredient, concentration, and usage information can be found at: https://cir-reports.cir-safety.org The toxicity profile of Methyl tridecanoate has not been extensively reported. As a fatty acid methyl ester, it is expected to have low toxicity. The compound is not intended for human consumption and is for research use only. Standard safety precautions should be observed when handling the compound, including appropriate personal protective equipment. The compound's low water solubility and lipophilic nature suggest it may accumulate in fatty tissues if ingested, but no specific toxicity data are available. |
| References | |
| Additional Infomation |
Methyl tridecanoate is a fatty acid methyl ester. It has been reported to be present in Astragalus membranaceus, Astragalus mongholicus, and other organisms with relevant data. See also: Fatty acids, C10-16, methyl esters (note moved to); Fatty acids, coconut, methyl esters (note moved to).
Methyl tridecanoate is a fatty acid methyl ester with the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. It is also known as tridecanoic acid methyl ester or methyl n-tridecanoate. The compound is a clear colorless liquid at room temperature. It is practically insoluble in water. Methyl tridecanoate is primarily used as a reference standard and analytical reagent in lipid chemistry and chromatography. It is available for research purposes only. |
| Molecular Formula |
C14H28O2
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|---|---|
| Molecular Weight |
228.37
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| Exact Mass |
228.208
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| CAS # |
1731-88-0
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| Related CAS # |
Methyl tridecanoate-d25;1219804-90-6
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| PubChem CID |
15608
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| Appearance |
Colorless to light yellow liquid
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
289.6±0.0 °C at 760 mmHg
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| Melting Point |
5.5 °C(lit.)
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| Flash Point |
124.9±6.9 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.435
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| LogP |
6.02
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
16
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| Complexity |
155
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCCCCCCCCCC(=O)OC
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| InChi Key |
JNDDPBOKWCBQSM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3
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| Chemical Name |
methyl tridecanoate
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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 | 4.3789 mL | 21.8943 mL | 43.7886 mL | |
| 5 mM | 0.8758 mL | 4.3789 mL | 8.7577 mL | |
| 10 mM | 0.4379 mL | 2.1894 mL | 4.3789 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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