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Methyl nonadecanoate

Cat No.:V37665 Purity: ≥98%
Methyl nonadecanoate serves as an internal standard for the determination of fatty acid methyl ester (FAME) content in biodiesel.
Methyl nonadecanoate
Methyl nonadecanoate Chemical Structure CAS No.: 1731-94-8
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
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5g
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Product Description
Methyl nonadecanoate serves as an internal standard for the determination of fatty acid methyl ester (FAME) content in biodiesel.
Methyl nonadecanoate (CAS#: 1731-94-8), also known as nonadecanoic acid methyl ester, is a C19 saturated fatty acid methyl ester (FAME) with the molecular formula C20H40O2 and a molecular weight of 312.53. This compound is a fatty acid ester used in the preparation of diets and dietary supplements containing nonadecanoate. Methyl nonadecanoate serves as an analytical standard for the quantification of fatty acid methyl esters in various samples, and is used as a chemical intermediate and building block in organic synthesis.
Biological Activity I Assay Protocols (From Reference)
Targets
Not applicable - this compound is primarily used as a chemical standard and fatty acid ester rather than as a drug with specific biological targets.
ln Vitro
In vitro studies on methyl nonadecanoate are limited, as the compound is primarily used as an analytical standard and chemical intermediate rather than as a bioactive compound with specific pharmacological targets. The compound is a saturated fatty acid methyl ester that may be used as a reference material in lipidomics and metabolomics studies. As a fatty acid ester, it may be hydrolyzed to nonadecanoic acid, a long-chain saturated fatty acid that can be incorporated into cellular membranes and used as an energy source. However, the biological activities of methyl nonadecanoate itself are not well characterized, and it is not typically studied for specific pharmacological effects.
ln Vivo
In vivo studies on methyl nonadecanoate are limited, as the compound is not typically used as a therapeutic agent. It may be used in nutritional studies as a component of diets or dietary supplements containing nonadecanoate, where it serves as a source of the fatty acid nonadecanoic acid. Nonadecanoic acid, the free acid form, has been studied for its potential effects on metabolism and health, but methyl nonadecanoate itself is primarily used as a chemical intermediate and analytical standard rather than for in vivo pharmacological studies.
Enzyme Assay
For analytical chemistry applications, methyl nonadecanoate is used as a standard for gas chromatography (GC) or gas chromatography-mass spectrometry (GC-MS) analysis of fatty acid methyl esters. The compound is injected onto a GC column, and its retention time and mass spectrum are used to identify and quantify fatty acid methyl esters in complex mixtures. For enzymatic hydrolysis studies, lipase or esterase assays may be performed to measure the hydrolysis of methyl nonadecanoate to nonadecanoic acid and methanol. The reaction is monitored by GC or HPLC to measure the disappearance of the substrate and appearance of products.
Cell Assay
Cellular assays for methyl nonadecanoate are not commonly performed, as the compound is not typically studied for pharmacological activity. In lipidomics studies, cells may be treated with the compound or its metabolites to study fatty acid uptake, incorporation into cellular lipids, and effects on lipid metabolism. Fatty acid uptake is measured using radiolabeled or fluorescently labeled fatty acids, and lipid composition is analyzed by LC-MS or GC-MS. Cytotoxicity against mammalian cells may be assessed in parallel if the compound is being evaluated as a potential therapeutic agent, though this is not a primary application.
Animal Protocol
In vivo studies on methyl nonadecanoate are not commonly performed for pharmacological evaluation. The compound may be used in nutritional studies as a component of diets or dietary supplements to study the effects of nonadecanoate on metabolism. In such studies, animals are fed diets containing methyl nonadecanoate or nonadecanoic acid, and parameters such as body weight, food intake, serum lipid profiles, and tissue fatty acid composition are measured. The compound's metabolic fate, including hydrolysis to nonadecanoic acid and incorporation into lipids, may be studied using stable isotope-labeled versions of the compound.
ADME/Pharmacokinetics
Pharmacokinetic properties of methyl nonadecanoate have been characterized in the context of its use as a dietary fatty acid ester. Following ingestion, the compound is likely hydrolyzed by lipases in the gastrointestinal tract to release nonadecanoic acid and methanol. Nonadecanoic acid is absorbed and incorporated into chylomicrons for transport in the circulation. The compound's high molecular weight (312.53) and lipophilic nature influence its absorption, distribution, metabolism, and excretion characteristics. Nonadecanoic acid is metabolized through β-oxidation in mitochondria and peroxisomes, and may be incorporated into cellular membranes or used as an energy source.
Toxicity/Toxicokinetics
Toxicological evaluation of methyl nonadecanoate indicates that it is generally considered safe for use as a food ingredient and dietary supplement component at appropriate levels. As a fatty acid ester, it is metabolized to nonadecanoic acid, a naturally occurring saturated fatty acid, and methanol, which is metabolized to formaldehyde and formic acid. Standard toxicology assessments include acute and repeated-dose toxicity studies, genotoxicity assays, and evaluation of effects on lipid metabolism and liver function. The compound's safety profile is established for food and dietary supplement applications, though comprehensive toxicology data for pharmaceutical applications may be limited.
References

[1]. Development and validation of analytical methodology by GC-FID using hexadecyl propanoate as an internal standard to determine the bovine tallow methyl esters content.J Chromatogr B Analyt Technol Biomed Life Sci. 2018 Sep 1;1093-1094:13.

Additional Infomation
Methyl nonadecanoate is a fatty acid methyl ester formed by the condensation of the carboxyl group of nonadecanoic acid with methanol. Functionally, it is related to nonadecanoic acid.
Methyl nonadecanoate is a fatty acid methyl ester used primarily as an analytical standard for GC and GC-MS analysis of fatty acids, as a chemical intermediate in organic synthesis, and as a component of diets and dietary supplements containing nonadecanoate. The compound is not a drug and is not intended for therapeutic use. Its primary applications are in analytical chemistry, food science, and lipid research. Nonadecanoic acid, the free acid form, has been studied for its potential effects on metabolism and health, and methyl nonadecanoate serves as a convenient esterified form for use in dietary studies and as an analytical standard. The compound is generally recognized as safe for food and research applications.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C20H40O2
Molecular Weight
312.5304
Exact Mass
312.302
CAS #
1731-94-8
PubChem CID
15610
Appearance
White to off-white solid powder
Density
0.9±0.1 g/cm3
Boiling Point
362.8±5.0 °C at 760 mmHg
Melting Point
37-40 °C(lit.)
Flash Point
176.9±7.5 °C
Vapour Pressure
0.0±0.8 mmHg at 25°C
Index of Refraction
1.446
LogP
9.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
18
Heavy Atom Count
22
Complexity
226
Defined Atom Stereocenter Count
0
InChi Key
BDXAHSJUDUZLDU-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
Chemical Name
methyl nonadecanoate
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 : ~10 mg/mL (~32.00 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 1 mg/mL (3.20 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: 1 mg/mL (3.20 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 10.0 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: ≥ 1 mg/mL (3.20 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 10.0 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 3.1997 mL 15.9985 mL 31.9969 mL
5 mM 0.6399 mL 3.1997 mL 6.3994 mL
10 mM 0.3200 mL 1.5998 mL 3.1997 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:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
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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)
  • Click the “Calculate” button
  • 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)
  • Click the “Calculate” button
  • 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:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

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  • The answer appears in the Volume (to add to vial) box
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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