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Methyl pentadecanoate

Cat No.:V59696 Purity: ≥98%
Methyl pentadecanoate is a fatty acid ester extracted from an extract of L. wallichi.
Methyl pentadecanoate
Methyl pentadecanoate Chemical Structure CAS No.: 7132-64-1
Product category: Plants
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
100mg
Other Sizes

Other Forms of Methyl pentadecanoate:

  • Methyl pentadecanoate-d29
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description
Methyl pentadecanoate is a fatty acid ester extracted from an extract of L. wallichi. Methyl pentadecanoate is obtained by condensing the carboxyl group of pentadecanoic acid and the hydroxyl group of methanol.
Methyl pentadecanoate (CAS 7132-64-1), also known as methyl n-pentadecanoate or pentadecanoic acid methyl ester, is a saturated fatty acid ester. It has the molecular formula C16H32O2 and a molecular weight of 256.42 g/mol. It is a naturally occurring compound found in various sources, including roasted dried squid and beef fat, and is also a component of L. wallichi extracts.
Biological Activity I Assay Protocols (From Reference)
Targets
Methyl pentadecanoate does not have a specific biological target. As a fatty acid ester, it is not a drug but a metabolite and a component of natural extracts. It is used as an analytical standard in gas-liquid chromatography and as a research compound to study lipid metabolism and natural product chemistry.
ln Vitro
Specific in vitro biological activity data for Methyl pentadecanoate are not reported in the provided literature. It is primarily used as an analytical standard and a research chemical. While it is found in various natural extracts, its biological activity is not the primary focus of its use in research.
ln Vivo
Methyl pentadecanoate is not used as a therapeutic agent and has no reported in vivo biological activity. It may be used in animal studies as a component of a diet to study its effects on metabolism, but such specific studies are not detailed in the provided search results.
Enzyme Assay
Methyl pentadecanoate is not used in biochemical assays as an active compound but rather as a reference standard. Its characterization is performed using standard analytical chemistry methods such as Gas Chromatography (GC) and Mass Spectrometry (MS) for identification and quantification.
Cell Assay
Methyl pentadecanoate is not used in cellular assays as a bioactive compound. It is a chemical reagent and analytical standard. For research use, it is typically handled as a pure compound and stored at -20°C.
Animal Protocol
Methyl pentadecanoate is not used in animal studies as a therapeutic compound. It may be used as a dietary supplement in nutritional studies, but specific protocols are not provided.
ADME/Pharmacokinetics
Pharmacokinetic data for Methyl pentadecanoate are not applicable as it is not a therapeutic compound. The compound is a fatty acid ester with a molecular weight of 256.42 g/mol and is typically stored at -20°C.
Toxicity/Toxicokinetics
Methyl pentadecanoate is a fatty acid ester and is generally considered safe as a food component. However, as a chemical reagent, standard laboratory safety practices should be followed.
References

[1]. “Supercritical CO2 as a green solvent for the circular economy: Extraction of fatty acids from fruit pomace.” Journal of CO 2 Utilization 41 (2020): 101259-101264.

[2]. Gas chromatography-mass spectrometry of the constituents of Ligusticum wallichii. II. Huaxue.1974;2:49-53.

Additional Infomation
Methyl pentadecanoate is a fatty acid ester formed by the condensation of the carboxyl group of pentadecanoic acid and the hydroxyl group of methanol. It is a metabolite found in both plants and bacteria. Its function is related to that of pentadecanoic acid. Methyl pentadecanoate has been reported to be present in Aristolochia grandiflora, Astragalus mongholicus, and Astragalus membranaceus, and relevant data are available. See also: Fatty acids, C12-18, Methyl esters (note moved to).
Methyl pentadecanoate is a fatty acid methyl ester used primarily as an analytical standard and research chemical. Its molecular formula is C16H32O2 and it is found naturally in various foods. It has no clinical applications and is for research use only.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C16H32O2
Molecular Weight
256.42
Exact Mass
256.24
CAS #
7132-64-1
Related CAS #
Methyl pentadecanoate-d29; 68060-02-6
PubChem CID
23518
Appearance
Colorless to light yellow solid-Liquid Mixture
Density
0.865 g/mL at 20 °C
Boiling Point
141-142 °C3 mm Hg(lit.)
Melting Point
18-19 °C(lit.)
Flash Point
>230 °F
Index of Refraction
n20/D 1.438(lit.)
LogP
5.25
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
14
Heavy Atom Count
18
Complexity
178
Defined Atom Stereocenter Count
0
SMILES
CCCCCCCCCCCCCCC(=O)OC
InChi Key
XIUXKAZJZFLLDQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3
Chemical Name
methyl pentadecanoate
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 Data
Solubility (In Vitro)
DMSO: 50 mg/mL (194.99 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.75 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 (9.75 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.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (9.75 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 900 μL of corn oil and mix evenly.


 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 3.8999 mL 19.4993 mL 38.9985 mL
5 mM 0.7800 mL 3.8999 mL 7.7997 mL
10 mM 0.3900 mL 1.9499 mL 3.8999 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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