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| Other Sizes |
| Targets |
(E)-Pent-2-enal does not have a defined pharmacological target as it is a flavor compound and natural product. The compound is used in the flavor and fragrance industry. As a plant metabolite, it plays a role in plant biology. In research settings, it is used as a biochemical reagent for life science research. Its biological activity is primarily related to its role as a volatile organic compound and flavor constituent.
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| ln Vitro |
(E)-Pent-2-enal is a biochemical reagent that can be utilized in life science research as an organic compound or biological material.
No specific in vitro pharmacological activity data are available for (E)-pent-2-enal as a drug candidate. In research settings, the compound is used as a biochemical reagent for life science research. Its activity is assessed in terms of flavor characteristics and chemical reactivity rather than direct pharmacological activity. The compound may be studied for its role as a plant metabolite. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for (E)-pent-2-enal as a therapeutic agent. The compound is used in the flavor and fragrance industry and as a research reagent. It is not administered to animals for pharmacological evaluation. Its applications are limited to flavor research, fragrance development, and biochemical studies.
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| Enzyme Assay |
For non-cellular assays, (E)-pent-2-enal is characterized by standard analytical techniques including GC, NMR, and mass spectrometry to confirm identity and purity. The compound can be evaluated as a substrate in various organic reactions including oxidation, reduction, and condensation reactions. Typical protocols involve dissolving the compound in appropriate solvents and analyzing reaction products by chromatographic methods. Purity is typically ≥95% to ≥98%. The compound has a molecular weight of 84.12 and molecular formula C5H8O.
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| Cell Assay |
For in vitro cell-based studies, (E)-pent-2-enal is not typically used as a direct test compound. The compound is used in flavor and fragrance research and as a biochemical reagent. If handled in a biological laboratory context, standard safety precautions should be taken. The compound is a liquid at room temperature and should be stored at 2-8°C.
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| Animal Protocol |
For in vivo animal studies, (E)-pent-2-enal can be formulated using standard injection vehicles. The compound is a liquid with a pungent fruity odor. Dosing solutions should be freshly prepared and administered according to specific protocols. Standard handling procedures for aldehydes should be followed.
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| ADME/Pharmacokinetics |
(E)-Pent-2-enal has a molecular weight of 84.12 and molecular formula C5H8O. It has a pungent fruity odor. Purity: typically ≥95% to ≥98%. Storage: 2-8°C. The compound is found in cigarette smoke, virgin olive oil, and milk. It is a plant metabolite.
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| Toxicity/Toxicokinetics |
(E)-Pent-2-enal is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Aldehydes can be irritating to skin, eyes, and respiratory system. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD50 values and detailed toxicological profiles have been established for flavor safety assessment.
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| Additional Infomation |
(E)-2-pentenal is a 2-pentenal with an (E) configuration of its double bond. It is found in cigarette smoke, extra virgin olive oil, and milk. It is a plant metabolite. 2-Pentenal has been reported to be present in alfalfa, bearberry, and other organisms with relevant data.
(E)-Pent-2-enal (CAS 1576-87-0) is also known as trans-2-pentenal, (E)-2-pentenal, and has a role as a plant metabolite. It is found in tomato, virgin olive oil, and sardine. The compound is widely used in the flavor and fragrance industry. No clinical trials or therapeutic approvals exist. |
| Molecular Formula |
C5H8O
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|---|---|
| Molecular Weight |
84.12
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| Exact Mass |
84.057
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| CAS # |
1576-87-0
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| PubChem CID |
5364752
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| Appearance |
Colorless to light yellow liquid（Density：0.86 g/cm3）
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| Density |
0.8±0.1 g/cm3
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| Boiling Point |
126.8±0.0 °C at 760 mmHg
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| Flash Point |
22.8±0.0 °C
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| Vapour Pressure |
11.5±0.2 mmHg at 25°C
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| Index of Refraction |
1.413
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| LogP |
1.04
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
6
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| Complexity |
55
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C([H])/C(/[H])=C(\[H])/C([H])([H])C([H])([H])[H]
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| InChi Key |
DTCCTIQRPGSLPT-ONEGZZNKSA-N
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| InChi Code |
InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+
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| Chemical Name |
(E)-pent-2-enal
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 | 11.8878 mL | 59.4389 mL | 118.8778 mL | |
| 5 mM | 2.3776 mL | 11.8878 mL | 23.7756 mL | |
| 10 mM | 1.1888 mL | 5.9439 mL | 11.8878 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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