| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Ethyl nonanoate does not have a specific biological target or receptor. As a flavoring and fragrance ingredient, it is not designed to interact with specific pharmacological targets. Its primary role is in the flavor and fragrance industries. It may be metabolized by esterases in the body, but it is not used for therapeutic purposes.
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|---|---|
| ln Vitro |
In vitro, Ethyl nonanoate is not typically used for biological activity assays. It may be used as a reference standard in analytical chemistry for the identification and quantification of esters. Its primary in vitro applications are in the flavor and fragrance industries and as a chemical intermediate. It is not typically used for cell-based functional assays.
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| ln Vivo |
In vivo, Ethyl nonanoate has no known therapeutic or biological effects. It is not used for therapeutic purposes. Its primary applications are in the flavor and fragrance industries and as a reference standard for analytical purposes. The compound is not intended for human consumption and is for research use only.
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| Enzyme Assay |
For non-cell-based assays, Ethyl nonanoate is not used for receptor binding studies. It can be characterized using techniques such as gas chromatography (GC) and mass spectrometry. It serves as a standard in analytical chemistry for the identification and quantification of esters. Its physicochemical properties, including boiling point, density, and refractive index, are well-characterized.
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| Cell Assay |
For in vitro cellular assays, Ethyl nonanoate is not typically used for cell-based functional assays. It may be used as a solvent or a chemical reagent in organic synthesis. Its primary in vitro applications are in chemical synthesis and formulation development, where it is valued for its properties as a flavor and fragrance ingredient.
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| Animal Protocol |
For in vivo animal studies, Ethyl nonanoate is not typically used for therapeutic or pharmacological studies. It may be used in metabolic studies where it is administered to animals and its metabolism and distribution are tracked using analytical methods. However, its primary use is as a flavor and fragrance ingredient rather than a research tool for in vivo studies.
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| ADME/Pharmacokinetics |
Ethyl nonanoate has a molecular weight of 186.29 and a molecular formula of C11H22O2. It is a colorless liquid with a fruity, wine-like odor. The compound is found naturally in various fruits and alcoholic beverages. It is used as a flavoring agent and fragrance ingredient. It is available with high purity for research use.
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| Toxicity/Toxicokinetics |
Toxicity Summary
It is safe at the current usage and concentration. Ingredient, concentration, and usage information can be found at: https://cir-reports.cir-safety.org The toxicity profile of Ethyl nonanoate has not been extensively reported. As a flavor and fragrance ingredient, it is generally considered safe for use in consumer products at typical exposure levels. The compound is for research use only and is not intended for human consumption. Standard safety precautions should be observed when handling the compound. |
| References |
[1]. Nascimento ES, et al. Quantitative ester analysis in cachaca and distilled spirits by gas chromatography-mass spectrometry (GC-MS). J Agric Food Chem. 2008 Jul 23;56(14):5488-93.
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| Additional Infomation |
Ethyl nonanoate is an ethyl fatty acid ester of nonanoic acid, a metabolite whose function is related to that of nonanoic acid. It has been reported to exist in citrus fruits (Citrus iyo), cacti (Opuntia ficus-indica), and other organisms with relevant data. Ethyl nonanoate is a metabolite found or produced by Saccharomyces cerevisiae.
Ethyl nonanoate (ethyl pelargonate, CAS 123-29-5) is a fatty acid ethyl ester formed from nonanoic acid and ethanol. It is a colorless liquid with a fruity, wine-like odor. The compound is found naturally in various fruits and alcoholic beverages and is used as a flavoring agent and fragrance ingredient. It is available for research purposes only. |
| Molecular Formula |
C11H22O2
|
|---|---|
| Molecular Weight |
186.29
|
| Exact Mass |
186.161
|
| CAS # |
123-29-5
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| PubChem CID |
31251
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| Appearance |
Colorless to light yellow liquid（Density：0.872 g/cm3）
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| Density |
0.9±0.1 g/cm3
|
| Boiling Point |
220.0±0.0 °C at 760 mmHg
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| Melting Point |
-44.5 °C
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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
|
| Index of Refraction |
1.427
|
| LogP |
4.43
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
9
|
| Heavy Atom Count |
13
|
| Complexity |
121
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([H])([H])C([H])([H])[H])C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O
|
| InChi Key |
BYEVBITUADOIGY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
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| Chemical Name |
ethyl nonanoate
|
| 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: 100 mg/mL (536.80 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.42 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 (13.42 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 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 (13.42 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 | 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.
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