| Size | Price | |
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| Other Sizes |
| Targets |
1-Undecanol does not have a specific well-defined pharmacological target in the context of drug discovery. As a fatty alcohol, it can interact with biological membranes and may affect membrane fluidity and permeability. It can also act as a substrate for alcohol dehydrogenases and other metabolizing enzymes. In toxicological studies, 1-undecanol is often evaluated for its effects on cell membranes and its potential as a skin irritant or sensitizer. It may also have weak antimicrobial activity due to its ability to disrupt bacterial cell membranes. However, it is not typically considered a drug target compound.
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|---|---|
| ln Vitro |
1-Undecanol exhibits in vitro activity primarily as a membrane-active compound and a potential antimicrobial agent. It can disrupt bacterial cell membranes, leading to cell lysis. Its antimicrobial activity has been evaluated against various bacterial and fungal strains. The compound also serves as a standard in analytical chemistry for gas chromatography and mass spectrometry, where its retention time and mass spectrum are well-characterized. In organic synthesis, 1-undecanol is used as a starting material for the synthesis of other compounds, including esters, ethers, and alkyl halides.
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| ln Vivo |
1-Undecanol is not typically used as a therapeutic agent in vivo. However, it is used in toxicological studies to assess the effects of fatty alcohols on biological systems. In animal studies, 1-undecanol has been evaluated for its dermal and oral toxicity. It is also used as a positive control in skin irritation and sensitization tests. Its metabolic fate in vivo involves oxidation to undecanoic acid via alcohol dehydrogenase, followed by beta-oxidation. These studies help define the safety profile of fatty alcohols for industrial and consumer product applications.
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| Enzyme Assay |
1-Undecanol does not have specific enzyme/receptor binding assays associated with it, as it is not a typical drug target compound. However, its interaction with biological membranes can be studied using biophysical techniques such as differential scanning calorimetry (DSC) or fluorescence anisotropy to measure changes in membrane fluidity. Its metabolism by alcohol dehydrogenase can be assayed spectrophotometrically by measuring NADH production. These assays are used in toxicological and metabolic studies rather than in drug discovery.
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| Cell Assay |
1-Undecanol is not typically used in cellular assays as a pharmacological agent. However, its effects on cell membranes can be studied using cell culture models. Cytotoxicity assays (e.g., MTT or LDH release) can be performed to assess the compound’s effects on cell viability. Membrane permeability assays can be used to measure its effects on cell membrane integrity. Antimicrobial activity can be assessed using standard broth microdilution or agar diffusion methods against bacterial and fungal strains. These assays are primarily used in toxicological and antimicrobial research.
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| Animal Protocol |
In vivo animal experiments with 1-undecanol are primarily conducted for toxicological evaluation. Rodent models are used to assess acute and subchronic toxicity via oral, dermal, or inhalation routes. Clinical signs, body weight, food consumption, and organ weights are monitored. Histopathological examination of tissues is performed to assess target organ toxicity. Dermal irritation and sensitization studies are conducted in rabbits or guinea pigs. These studies are important for assessing the safety of 1-undecanol for use in consumer products and industrial applications.
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| ADME/Pharmacokinetics |
1-Undecanol is a lipophilic compound with low water solubility. It is well absorbed after oral administration and is metabolized primarily by oxidation to undecanoic acid via alcohol dehydrogenase. The resulting fatty acid undergoes beta-oxidation to produce acetyl-CoA, which enters the citric acid cycle. The compound is excreted as carbon dioxide and water. Its dermal absorption is limited, making it suitable for topical applications. The pharmacokinetic profile of 1-undecanol is typical for medium-chain fatty alcohols.
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| Toxicity/Toxicokinetics |
Interactions
In early chicks, dietary supplementation with D,L-α-tocopherol acetate completely prevents alcohol-induced nutritional encephalomalacia. When using surfactants (e.g., Tween 80), alcohol emulsions exhibit phytotoxicity only in young meristems. Without surfactants, C11 alcohols and esters show non-selective tissue-killing effects. Non-human Toxicity Values Rabbit skin LD50 >5 g/kg /from table/ Rat oral LD50 3000 mg/kg Guinea pig skin LD50 >20 g/kg 1-Undecanol has low acute toxicity in animal studies. The oral LD50 in rats is >5,000 mg/kg, indicating low toxicity. It is a mild skin and eye irritant but is not considered a skin sensitizer. Inhalation of high concentrations may cause respiratory irritation. Chronic exposure studies have shown that 1-undecanol does not cause significant target organ toxicity at relevant exposure levels. It is not classified as a carcinogen or mutagen. The compound is considered safe for use in food contact materials and cosmetics at appropriate concentrations. |
| References | |
| Additional Infomation |
1-Undecyl alcohol is a water-white liquid with a slight odor. Flash point 250°F (121°C). Slightly soluble in water. The U.S. Department of Transportation (DOT) lists it as a marine pollutant. Immediate measures should be taken to limit its spread into the environment. As a liquid, it readily seeps into soil, contaminating groundwater or streams. It is slightly irritating to eyes and skin. 1-Undecyl alcohol is a primary alcohol, formed by replacing undecane with a hydroxyl group at the 1-position. It is a plant metabolite and flavoring agent. It is a primary alcohol and also a type of undecyl alcohol. 1-Undecyl alcohol has been reported to be found in Listeria guineensis, Pelargonium endlicherianum, and other organisms with relevant data. Undecyl alcohol is a metabolite found in or produced by Saccharomyces cerevisiae. Mechanism of Action: ...Undecyl alcohol is the most potent fungicide, followed by decanol. Time-sterilization curve studies showed that undecyl alcohol had a bactericidal effect on Saccharomyces cerevisiae at any growth stage and was unaffected by pH. The tested alcohols inhibited glucose-induced acidification by inhibiting plasma membrane H(+)-ATPase. The main antifungal activity of amphiphilic medium-chain (C(9)-C(12)) alkanols stemmed from their ability as nonionic surfactants to disrupt the natural membrane-related functions of integrins.
1-Undecanol is a fatty alcohol used in various industrial and consumer applications. It is used as a fragrance ingredient in cosmetics and personal care products, as a plasticizer in polymers, and as a chemical intermediate in the synthesis of esters, ethers, and other compounds. It is also used as a standard in analytical chemistry for gas chromatography. The compound has a lemon-like scent and is used in flavorings. It is generally recognized as safe (GRAS) for use in food contact materials at low concentrations. Its low toxicity and pleasant odor make it suitable for various applications. |
| Molecular Formula |
C₁₁H₂₄O
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|---|---|
| Molecular Weight |
172.31
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| Exact Mass |
172.182
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| CAS # |
112-42-5
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| Related CAS # |
1-Undecanol-d23;349553-88-4;1-Undecanol-d4;1219803-47-0
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| PubChem CID |
8184
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| Appearance |
Colorless liquid
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| Density |
0.8±0.1 g/cm3
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| Boiling Point |
243.2±3.0 °C at 760 mmHg
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| Melting Point |
11 °C(lit.)
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| Flash Point |
109.0±4.6 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.438
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| LogP |
4.59
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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 |
9
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| Heavy Atom Count |
12
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| Complexity |
71.4
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C([H])([H])C([H])([H])C([H])([H])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]
|
| InChi Key |
KJIOQYGWTQBHNH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
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| Chemical Name |
undecan-1-ol
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| Synonyms |
1Undecanol; 1 Undecanol
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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 (~580.35 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 4.55 mg/mL (26.41 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 45.5 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 (14.51 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 (14.51 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 | 5.8035 mL | 29.0175 mL | 58.0349 mL | |
| 5 mM | 1.1607 mL | 5.8035 mL | 11.6070 mL | |
| 10 mM | 0.5803 mL | 2.9017 mL | 5.8035 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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