| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
Methyl behenate does not have specific pharmacological targets as it is primarily used as an analytical reference standard and chemical intermediate. As a fatty acid methyl ester, it may interact with lipid metabolism pathways or serve as a substrate for esterases. The compound is used in the production of superamides and as an intermediate for pure behenic acid. Its applications include use as a solvent, opacifier, and viscous control agent in various industrial applications.
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| ln Vitro |
In vitro, Methyl behenate is not evaluated for traditional biological activity as it is used primarily as an analytical standard and chemical intermediate. It is found naturally in various plant oils and animal fats. The compound is used as a reference standard in gas chromatography for the identification and quantification of fatty acid methyl esters. It may also be used in biochemical research related to lipid metabolism.
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| ln Vivo |
In vivo activity data for Methyl behenate are not applicable as the compound is used primarily as an analytical reference standard and chemical intermediate. It is a naturally occurring fatty acid ester found in various food sources. The compound is not used as a therapeutic agent and is not administered to animals for pharmacological evaluation. Its biological significance is primarily related to its role as a dietary lipid component.
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| Enzyme Assay |
Methyl behenate is not evaluated in traditional enzyme/receptor binding assays. However, it can be analyzed by gas chromatography (GC) and high-performance liquid chromatography (HPLC) for quality control and analytical applications. The compound's purity is assessed by GC with purity ≥90.0%. Its physical properties including melting point (54-56°C) are used for identification.
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| Cell Assay |
Methyl behenate is not evaluated in traditional cellular assays as it is used primarily as an analytical standard. However, it may be used in cell culture studies related to lipid metabolism or as a component of lipid formulations. The compound appears as a white to almost white powder to crystal and is insoluble in water but soluble in alcohol and ether. It is typically handled as a solid for analytical applications.
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| Animal Protocol |
Methyl behenate is not used in in vivo animal experiments as it is primarily an analytical reference standard. The compound is not administered to animals for pharmacological evaluation. Its presence in animal fats indicates that it is a natural component of animal tissues and may be consumed as part of the diet.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Methyl behenate are characteristic of long-chain fatty acid methyl esters. The compound has a molecular weight of 354.62 g/mol and molecular formula C₂₃H₄₆O₂. As a highly lipophilic compound, it is expected to be absorbed with dietary fats and incorporated into lipid metabolism pathways. It appears as a wax-like solid with melting point 54-56°C. Storage: room temperature in a cool and dark place (<15°C).
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| Toxicity/Toxicokinetics |
The toxicological profile of Methyl behenate is consistent with its use as a fatty acid ester and food component. As a naturally occurring compound found in various edible oils and fats, it is generally recognized as safe at dietary exposure levels. The compound is combustible but not considered highly toxic. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
Methyl behenate is a fatty acid methyl ester. It has been reported to be found in Astragalus membranaceus, potato, and other organisms with relevant data.
Methyl behenate (CAS# 929-77-1, molecular formula C₂₃H₄₆O₂, molecular weight 354.62) is a fatty acid methyl ester found in various plants and animal fats. It is used as a reference standard in gas chromatography and in biochemical and medical research. Also known as methyl docosanoate and behenic acid methyl ester. No clinical trials or regulatory approvals have been identified. Storage: room temperature in a cool and dark place. |
| Molecular Formula |
C23H46O2
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|---|---|
| Molecular Weight |
354.610147953033
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| Exact Mass |
354.35
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| CAS # |
929-77-1
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| PubChem CID |
13584
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| Appearance |
White to off-white solid
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| Density |
0.861g/cm3
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| Boiling Point |
393 °C
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| Melting Point |
54-56 °C(lit.)
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| Flash Point |
113 °C
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| Index of Refraction |
1.448
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| LogP |
7.981
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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 |
21
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| Heavy Atom Count |
25
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| Complexity |
263
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(CCCCCCCCCCCCCCCCCCCCC)OC
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| InChi Key |
QSQLTHHMFHEFIY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
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| Chemical Name |
methyl docosanoate
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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) |
Ethanol: 1.25 mg/mL (3.52 mM)
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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 | 2.8200 mL | 14.1000 mL | 28.2000 mL | |
| 5 mM | 0.5640 mL | 2.8200 mL | 5.6400 mL | |
| 10 mM | 0.2820 mL | 1.4100 mL | 2.8200 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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