| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
| Targets |
Methyl heptadecanoate does not have a biological target as it is a fatty acid methyl ester used as an analytical standard and research reagent. Its "target" in a research context is as a reference compound for the analysis of fatty acid profiles by GC-MS. The compound is used to identify and quantify heptadecanoic acid (margaric acid) in biological and food samples.
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|---|---|
| ln Vitro |
In vitro, Methyl heptadecanoate is not biologically active as it is a fatty acid methyl ester used as an analytical standard. Its activity is measured by its chromatographic properties and suitability as a reference compound for GC-MS analysis. The compound is used in biological studies for the formation of beef flavor precursors.
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| ln Vivo |
Methyl heptadecanoate is not used in vivo as a therapeutic agent. It is a fatty acid methyl ester used as an analytical standard and research reagent. The compound itself is not administered to animals or humans for therapeutic purposes. Its in vivo effects, if any, have not been characterized as it is not a drug.
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| Enzyme Assay |
Non-cell-based assays for Methyl heptadecanoate involve characterization of its chemical properties and its use as an analytical standard. The compound's structure is confirmed by NMR and MS. Its purity is determined by GC. The compound's chemical properties including molecular formula (C₁₈H₃₆O₂) and molecular weight (284.48) are characterized. Its retention time in GC-MS analysis is used for identification.
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| Cell Assay |
Cellular assays for Methyl heptadecanoate are not performed as the compound is an analytical standard rather than a biologically active compound. The compound is used in analytical chemistry and food science research, not in cell-based assays.
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| Animal Protocol |
Methyl heptadecanoate is not used in animal experiments as a therapeutic agent. It is a fatty acid methyl ester used as an analytical standard and research reagent. The compound is not administered to animals for therapeutic purposes. Its use is limited to analytical chemistry and food science.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to Methyl heptadecanoate as it is not a therapeutic agent. The compound is a fatty acid methyl ester used as an analytical standard. Its chemical stability, solubility, and chromatographic behavior are characterized for analytical applications. No PK data are available as the compound is not a drug.
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| Toxicity/Toxicokinetics |
The toxicity of Methyl heptadecanoate has not been comprehensively evaluated as it is not a therapeutic agent. As a fatty acid methyl ester found in foods, the compound is generally considered to be safe. The compound is handled with standard laboratory safety precautions. It is for research use only and is not intended for human consumption.
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| References | |
| Additional Infomation |
Methyl heptadecanoate is a fatty acid methyl ester. It has been reported to exist in Magnolia officinalis, Diospyros kaki, and other organisms with relevant data.
Methyl heptadecanoate (CAS# 1731-92-6) is a fatty acid methyl ester with the molecular formula C₁₈H₃₆O₂ and a molecular weight of 284.48. It is also known as margaric acid methyl ester, methyl margarate, and heptadecanoic acid methyl ester. The compound is used in biological studies for the formation of beef flavor precursors and as an analytical standard. As of current knowledge, Methyl heptadecanoate is not approved as a therapeutic agent. |
| Molecular Formula |
C18H36O2
|
|---|---|
| Molecular Weight |
284.48
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| Exact Mass |
284.271
|
| CAS # |
1731-92-6
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| Related CAS # |
Methyl heptadecanoate-d33;1219804-81-5
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| PubChem CID |
15609
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| Appearance |
White to off-white solid powder
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
337.1±5.0 °C at 760 mmHg
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| Melting Point |
29.8-30.3 °C(lit.)
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| Flash Point |
161.2±7.5 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.443
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| LogP |
8.15
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
16
|
| Heavy Atom Count |
20
|
| Complexity |
202
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCCCCCCCCCCCCCCCC(=O)OC
|
| InChi Key |
HUEBIMLTDXKIPR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
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| Chemical Name |
methyl heptadecanoate
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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) |
DMSO: 66.67 mg/mL (234.36 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.79 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (8.79 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (8.79 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.5152 mL | 17.5759 mL | 35.1519 mL | |
| 5 mM | 0.7030 mL | 3.5152 mL | 7.0304 mL | |
| 10 mM | 0.3515 mL | 1.7576 mL | 3.5152 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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