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| Other Sizes |
| Targets |
Methyl decanoate does not have a well-defined pharmacological target. It is primarily used as a biochemical reagent and flavoring agent. It may have activity in the androgen receptor (AR) agonist pathway. Derivatives of methyl decanoate have been shown to be cytotoxic to human cancer cell lines. Its biological activities are limited to its use as a reagent and flavor compound.
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| ln Vitro |
In study pertaining to life sciences, methyl decanoate is a biochemical reagent that can be utilized as an organic substance or biological material.
In vitro, methyl decanoate is used as a biochemical reagent in life science research. Alpha-methylsulfanylated derivatives of related compounds were cytotoxic to human chronic myelogenous leukemia K-562 and human histiocytic lymphoma U-937 cell lines with EC50 values in the 200-300 µM range. The parent compound's direct in vitro activity is limited. |
| ln Vivo |
In vivo data for methyl decanoate are limited. The compound is primarily used as a flavoring agent and biochemical reagent. It is not intended for therapeutic use. Its in vivo effects have not been systematically studied. The compound is generally recognized as safe for use as a food flavoring.
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| Enzyme Assay |
General protocols for the use of methyl decanoate as a biochemical reagent involve dissolving the compound in appropriate solvents (e.g., ethanol, DMSO) and adding it to reaction mixtures. The compound is used as a substrate or reagent in chemical synthesis and biochemical studies. For flavor analysis, the compound is extracted from food samples and analyzed by GC-MS or HPLC.
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| Cell Assay |
General protocols for cell-based studies using methyl decanoate are limited. For studies involving fatty acid metabolism, cells are treated with methyl decanoate at various concentrations (1-1000 µM) for 24-72 hours. Cell viability is assessed by MTT or CCK-8 assays. Fatty acid oxidation and esterification are measured using radiolabeled substrates. The compound's effects on lipid metabolism are studied.
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| Animal Protocol |
General protocols for in vivo studies of methyl decanoate are limited. The compound is primarily used as a flavoring agent and biochemical reagent. For toxicological studies, the compound may be administered orally to rodents at various doses. Body weight, clinical signs, and mortality are monitored. However, comprehensive in vivo studies are limited.
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| ADME/Pharmacokinetics |
Methyl decanoate has a molecular weight of 186.29 g/mol (C11H22O2). It is a methyl ester of decanoic acid. It has a fruity smell and is used as a flavoring agent. It is slightly soluble in water and soluble in organic solvents. Its pharmacokinetic properties have not been characterized. The compound is a biochemical reagent and is not a pharmaceutical drug.
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| Toxicity/Toxicokinetics |
Interactions
Linear saturated fatty acid methyl esters and lectins exhibit coagulation effects on mouse lymphocytes. The degree of coagulation strongly depends on the length of the acyl group, with methyl tetradecanoate showing the strongest coagulation. Analogs containing 10, 12, or 16 acyl carbon atoms have weaker effects, while analogs with fewer than 10 or more than 16 acyl carbon atoms are inactive. /Methyl ester/ Methyl decanoate has a favorable safety profile for its intended use as a food flavoring and biochemical reagent. It is generally recognized as safe (GRAS) as a food additive. It may cause skin and eye irritation upon contact. Inhalation of vapors should be avoided. The compound should be handled with appropriate safety precautions in the laboratory. |
| Additional Infomation |
Methyl decanoate is a fatty acid methyl ester, also known as a decanoate ester. It has been reported to be found in hops (Humulus lupulus), autumn datura (Mandragora autumnalis), and several other organisms with relevant data. Methyl decanoate is a metabolite found in or produced by the yeast Saccharomyces cerevisiae.
Methyl decanoate (CAS 110-42-9) is a methyl ester of decanoic acid used as a biochemical reagent and flavoring agent. It has a fruity smell and is widely used in foods like baked goods, candies, and beverages. It has no approved therapeutic indications and is not a pharmaceutical drug. It is used primarily as a research chemical and flavor compound. |
| Molecular Formula |
C11H22O2
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|---|---|
| Molecular Weight |
186.29118
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| Exact Mass |
186.161
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| CAS # |
110-42-9
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| Related CAS # |
Methyl decanoate-d19;1219804-67-7;Methyl dodecanoate-d23;1219804-72-4
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| PubChem CID |
8050
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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 |
224.0±0.0 °C at 760 mmHg
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| Melting Point |
−14-−11 °C(lit.)
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| Flash Point |
94.4±0.0 °C
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| Vapour Pressure |
0.1±0.4 mmHg at 25°C
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| Index of Refraction |
1.427
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| LogP |
4.43
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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 |
9
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| Heavy Atom Count |
13
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| Complexity |
121
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCCCCCCC(=O)OC
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| InChi Key |
YRHYCMZPEVDGFQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
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| Chemical Name |
methyl decanoate
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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 | 5.3680 mL | 26.8399 mL | 53.6797 mL | |
| 5 mM | 1.0736 mL | 5.3680 mL | 10.7359 mL | |
| 10 mM | 0.5368 mL | 2.6840 mL | 5.3680 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT03298373 | UNKNOWN STATUS | Drug: Placebo Drug: 11β-methyl-nortestosterone-dodecylcarbonate |
Healthy Men Male Contraception |
Health Decisions | 2017-11-09 | Phase 1 |
| NCT02754687 | UNKNOWN STATUS | Drug: Placebo Drug: 11βmethyl nortestosterone dodecylcarbonate |
Healthy Men Male Contraception |
Health Decisions | 2016-04 | Phase 1 |
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