| Size | Price | Stock | Qty |
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| 5g |
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| Other Sizes |
| Targets |
Methyl (E)-oct-2-enoate is a flavor compound and synthetic intermediate rather than a direct pharmacological agent. As a chemical reagent, it does not have specific biological receptors as its primary targets. The compound's mechanism of action is physical rather than pharmacological, involving the activation of olfactory receptors to produce a fruity, green, sweet, and waxy aroma. Its primary applications are as a flavoring agent in the food and fragrance industries and as a synthetic intermediate for the production of other organic compounds.
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| ln Vitro |
Methyl (E)-oct-2-enoate is a biochemical reagent that can be applied to biological science study as an organic substance or biomaterial.
In vitro, methyl (E)-oct-2-enoate is used as a biochemical reagent and flavor compound. It is commonly used as an ingredient in perfumes, colognes, and flavors, with taste characteristics described as fruity, green, sweet, and waxy with a fresh tropical note. The compound is also used as a raw material for the synthesis of other organic compounds, such as methyl 3-oxobutanoate. Cellular assays are not typically performed with this compound as a direct cell-modulating agent, as its primary applications are in the flavor and fragrance industries. |
| ln Vivo |
In vivo data for methyl (E)-oct-2-enoate is limited, as it is primarily used as a flavor and fragrance ingredient rather than as a therapeutic agent. The compound is generally recognized as safe for use in food and cosmetic products at low concentrations. When ingested, it is metabolized through normal fatty acid ester pathways. Its pleasant aroma and low volatility make it a popular choice for adding fruity notes to various products. Specific in vivo data for therapeutic applications is not available in the public literature.
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| Enzyme Assay |
In vitro assays for methyl (E)-oct-2-enoate typically evaluate its flavor and aroma properties or its use as a synthetic intermediate. A standard protocol for flavor evaluation involves sensory analysis by trained panelists at concentrations of 20 ppm. For synthetic applications, the compound is used in chemical reactions such as oxidation to produce methyl 3-oxobutanoate. The compound's purity and identity are confirmed by GC or HPLC. Its physical properties, including density and boiling point, are characterized for quality control purposes.
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| Cell Assay |
Cellular assays for methyl (E)-oct-2-enoate are not standard, as the compound is primarily used as a flavor and fragrance ingredient rather than as a cell-modulating agent. The compound's fatty acid ester structure suggests it is generally biocompatible. Any cellular studies would focus on evaluating the compound's cytotoxicity at high concentrations. A typical protocol would involve culturing appropriate cell lines in growth medium at 37°C with 5% CO₂. Cells would be treated with varying concentrations of the compound. Cell viability would be assessed using MTT or similar assays.
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| Animal Protocol |
In vivo animal studies for methyl (E)-oct-2-enoate are not standard, as it is primarily a flavor and fragrance ingredient rather than a therapeutic candidate. The compound is generally recognized as safe for use in food and cosmetic products. Any animal studies would be limited to toxicological evaluations of the compound as a food additive or cosmetic ingredient. The compound's primary value lies in its use as a flavoring agent and synthetic intermediate. Specific in vivo protocols are not available in the public literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for methyl (E)-oct-2-enoate is limited, as it is primarily a flavor and fragrance ingredient. The compound has a molecular weight of 156.22 g/mol and a molecular formula of C₉H₁₆O₂. It is a liquid at room temperature with a density of 0.898 g/mL and a boiling point of 89-91°C at 9 mm Hg. As a fatty acid ester, it is hydrolyzed by esterases to octenoic acid and methanol, which are metabolized through normal pathways. Specific ADME data is not available.
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| Toxicity/Toxicokinetics |
Methyl (E)-oct-2-enoate is generally recognized as safe for use as a flavor and fragrance ingredient. The compound is classified for research use and as a food additive. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is limited. No significant toxicity is expected at normal usage levels.
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| Additional Infomation |
2-Octenanoic acid methyl ester is a fatty acid ester. It has been reported that 2-octenanoic acid methyl ester is found in custard apple (Annona muricata) and papaya (Carica papaya), and relevant data are available. See also: 2-octenanoic acid methyl ester, (2Z)- (note moved to).
Methyl (E)-oct-2-enoate (trans-2-Octenoic acid methyl ester, CAS 7367-81-9) is a biochemical reagent with the molecular formula C₉H₁₆O₂ and a molecular weight of 156.22 g/mol. It is commonly used as an ingredient in perfumes, colognes, and flavors due to its pleasant fruity, green, sweet, and waxy aroma. The compound is classified as a research-use-only reagent and is available from multiple commercial suppliers. |
| Molecular Formula |
C9H16O2
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|---|---|
| Molecular Weight |
156.22
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| Exact Mass |
156.115
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| CAS # |
7367-81-9
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| PubChem CID |
5364532
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| Appearance |
Colorless to light yellow liquid（Density：0.898 g/cm3）
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| Density |
0.898 g/mL at 25 °C(lit.)
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| Boiling Point |
89-91 °C9 mm Hg(lit.)
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| Flash Point |
181 °F
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| Index of Refraction |
n20/D 1.442(lit.)
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| LogP |
2.295
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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 |
6
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| Heavy Atom Count |
11
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| Complexity |
128
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCC/C=C/C(=O)OC
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| InChi Key |
CJBQSBZJDJHMLF-BQYQJAHWSA-N
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| InChi Code |
InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3/b8-7+
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| Chemical Name |
methyl (E)-oct-2-enoate
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 6.4012 mL | 32.0061 mL | 64.0123 mL | |
| 5 mM | 1.2802 mL | 6.4012 mL | 12.8025 mL | |
| 10 mM | 0.6401 mL | 3.2006 mL | 6.4012 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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