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| Other Sizes |
| Targets |
Oct-1-en-3-ol does not have a specific biological target in the traditional pharmacological sense. As a volatile organic compound, it interacts with olfactory receptors in the nose, contributing to its characteristic odor. In insects, oct-1-en-3-ol acts as a semiochemical, influencing insect behavior such as attraction or repulsion. The compound may also have antimicrobial properties, as it has been shown to inhibit the growth of certain fungi and bacteria. However, its primary utility is in flavor, fragrance, and insect behavior research rather than pharmacology.
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| ln Vitro |
Oct-1-en-3-ol exhibits antimicrobial activity in vitro against various fungi and bacteria. The compound has been shown to inhibit the growth of certain plant pathogens and food spoilage organisms. Oct-1-en-3-ol also has insecticidal and repellent properties, affecting the behavior of various insect species. The compound's antimicrobial and insecticidal activities are related to its lipophilic nature and its ability to disrupt cell membranes. Specific MIC values for various microorganisms are not extensively documented.
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| ln Vivo |
Oct-1-en-3-ol does not have significant in vivo pharmacological activity. It is a volatile compound that is rapidly metabolized and eliminated from the body. The compound is not used as a therapeutic agent and is not administered to animals for pharmacological studies. Its use is limited to flavor, fragrance, and insect behavior research.
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| Enzyme Assay |
Non-cellular assays for oct-1-en-3-ol typically involve measuring its antimicrobial activity using disk diffusion or broth microdilution assays. For antimicrobial testing, the compound is incubated with bacterial or fungal cultures, and the minimum inhibitory concentration (MIC) is determined. For insect behavior studies, olfactometer assays or choice tests are used to assess the compound's attractiveness or repellency to insects.
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| Cell Assay |
In vitro cellular assays for oct-1-en-3-ol are not typically conducted for pharmacological evaluation. The compound may be used in cell culture experiments to study its effects on cell viability or membrane integrity, but such studies are not standard. Its primary use is in flavor, fragrance, and insect behavior research.
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| Animal Protocol |
Oct-1-en-3-ol is not used in in vivo animal studies as a therapeutic or pharmacological agent. Its application is limited to research on insect behavior and plant-insect interactions. The compound may be used in behavioral assays with insects to study the effects of volatile organic compounds on insect attraction or repulsion.
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| ADME/Pharmacokinetics |
Oct-1-en-3-ol is not a drug and does not have pharmacokinetic properties. Its physical and chemical properties are more relevant: it is a volatile, unsaturated alcohol with a molecular weight of 128.21 and a molecular formula of C₈H₁₆O. The compound is a colorless liquid with a characteristic mushroom odor. It is soluble in organic solvents and has limited solubility in water.
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| Toxicity/Toxicokinetics |
Oct-1-en-3-ol is considered a mild irritant. It may cause skin and eye irritation upon contact. Inhalation of high concentrations may cause respiratory irritation. The compound is flammable and should be handled away from heat and open flames. Appropriate personal protective equipment (gloves, goggles) should be worn when handling this compound. Work should be conducted in a well-ventilated area.
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| References | |
| Additional Infomation |
Octen-1-ol is an enol with a structure based on a single C8 chain, a hydroxyl group at C-2, and unsaturated bonds at C-1 to C-2. It is a major volatile compound in many mushrooms and fungi. It functions as an insect attractant, a component of volatile oils, a fungal metabolite, and an antibacterial agent. It is an enol and also a medium-chain fatty alcohol. It is derived from the hydrogenation of 1-octene. 1-Octen-3-ol has been reported in the tea plant (Camellia sinensis), Tetradenia riparia, and several other organisms with relevant data. 1-Octen-3-ol is a metabolite found in or produced by Saccharomyces cerevisiae.
Oct-1-en-3-ol is a research-grade chemical compound intended for laboratory use only and is not approved for clinical use. Its CAS number is 3391-86-4. The primary applications of oct-1-en-3-ol include flavor and fragrance research, studies of insect behavior and plant-insect interactions, and as a reference standard for the analysis of volatile organic compounds. The compound is also known as mushroom alcohol and is a major contributor to the aroma of mushrooms. |
| Molecular Formula |
C8H16O
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|---|---|
| Molecular Weight |
128.2120
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| Exact Mass |
128.12
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| CAS # |
3391-86-4
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| PubChem CID |
18827
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| Appearance |
Colorless to light yellow liquid
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| Density |
0.8±0.1 g/cm3
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| Boiling Point |
168.4±0.0 °C at 760 mmHg
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| Melting Point |
-49°C
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| Flash Point |
61.1±0.0 °C
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| Vapour Pressure |
0.5±0.6 mmHg at 25°C
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| Index of Refraction |
1.438
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| LogP |
2.64
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
9
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| Complexity |
69
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C([H])(C([H])=C([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
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| InChi Key |
VSMOENVRRABVKN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
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| Chemical Name |
oct-1-en-3-ol
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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) |
DMSO : ~100 mg/mL (~779.91 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.50 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 (19.50 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 (19.50 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 | 7.7997 mL | 38.9985 mL | 77.9970 mL | |
| 5 mM | 1.5599 mL | 7.7997 mL | 15.5994 mL | |
| 10 mM | 0.7800 mL | 3.8999 mL | 7.7997 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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