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| Other Sizes |
| Targets |
Acetyleugenol does not have a single well-defined molecular target but exhibits a range of biological activities. As a derivative of eugenol, it shares many of its pharmacological properties. Acetyleugenol has been studied for its antimicrobial, antioxidant, and anti-inflammatory activities. Its mechanism of action may involve modulation of inflammatory pathways, scavenging of free radicals, and disruption of microbial cell membranes.
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| ln Vitro |
In vitro, acetyleugenol has demonstrated antimicrobial, antioxidant, and anti-inflammatory activities. Its antimicrobial activity has been shown against various bacteria and fungi. Its antioxidant activity has been demonstrated in DPPH and other free radical scavenging assays. Its anti-inflammatory activity has been observed in cell-based models of inflammation. These activities are similar to those of eugenol, the parent compound.
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| ln Vivo |
In vivo, acetyleugenol has been studied for its potential therapeutic properties, including its effects on inflammation and oxidative stress. However, specific in vivo efficacy data from animal models are limited in publicly available sources. As a flavoring agent and fragrance component, it is generally recognized as safe at typical exposure levels. Further studies would be required to fully characterize its in vivo effects.
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| Enzyme Assay |
In non-cell-based biochemical assays, acetyleugenol's activities are evaluated using various methods. Its antimicrobial activity is assessed using standard susceptibility testing methods such as broth microdilution or agar diffusion assays. Its antioxidant activity is evaluated using DPPH, ABTS, or FRAP assays. Its anti-inflammatory activity may be assessed using enzyme inhibition assays such as COX or LOX inhibition assays.
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| Cell Assay |
In vitro cellular assays for acetyleugenol involve testing its effects on cultured cells. Its antimicrobial activity is tested against bacterial and fungal pathogens using standard microbiological methods. Its antioxidant activity is assessed by measuring its ability to protect cells from oxidative stress. Its anti-inflammatory activity is evaluated by measuring its effects on cytokine production and inflammatory mediator expression in stimulated immune cells.
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| Animal Protocol |
In vivo animal studies for acetyleugenol have not been extensively reported in publicly available sources. As a compound with potential therapeutic properties, it would be expected to be evaluated in animal models relevant to its biological activities. However, specific protocols and data are limited. The compound's safety as a flavoring agent has been established.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic properties of acetyleugenol are limited in publicly available sources. As a small molecule, it is expected to be well absorbed and metabolized. The compound is lipophilic and may be distributed to various tissues. Further pharmacokinetic characterization would be required for a complete understanding of its in vivo behavior.
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| Toxicity/Toxicokinetics |
Acetyleugenol is generally recognized as safe as a flavoring agent and fragrance component at typical exposure levels. However, at high concentrations, it may cause irritation to the skin, eyes, and respiratory tract. The compound should be handled with appropriate safety precautions. Its safety profile is consistent with that of other phenolic compounds used in flavorings and fragrances.
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| References |
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| Additional Infomation |
Acetyleugenol belongs to the phenolic class of compounds and is a benzoic acid ester. It has been reported to be found in perilla, galangal, and other organisms with relevant data. See also: Clove oil (partial).
Acetyleugenol (eugenyl acetate) is the acetylated derivative of eugenol, a phenolic compound found in clove oil, nutmeg, and cinnamon. It is used as a flavoring agent, fragrance component, and chemical intermediate. Acetyleugenol has been studied for various biological activities, including antimicrobial, antioxidant, and anti-inflammatory properties. It shares many of the pharmacological properties of eugenol and is generally recognized as safe for use in food and cosmetic applications at typical concentrations. |
| Molecular Formula |
C12H14O3
|
|---|---|
| Molecular Weight |
206.24
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| Exact Mass |
206.094
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| CAS # |
93-28-7
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| PubChem CID |
7136
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
268.0±28.0 °C at 760 mmHg
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| Melting Point |
26°C
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| Flash Point |
106.8±18.6 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.507
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| LogP |
2.4
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
15
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| Complexity |
225
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C)OC1C(OC)=CC(CC=C)=CC=1
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| InChi Key |
SCCDQYPEOIRVGX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3
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| Chemical Name |
4-Allyl-2-methoxyphenyl acetate
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| Synonyms |
Acetyleugenol NSC-1242 NSC1242NSC 1242 Eugenol Acetate
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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) |
DMSO : ~100 mg/mL (~484.87 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.12 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 (12.12 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 (12.12 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 | 4.8487 mL | 24.2436 mL | 48.4872 mL | |
| 5 mM | 0.9697 mL | 4.8487 mL | 9.6974 mL | |
| 10 mM | 0.4849 mL | 2.4244 mL | 4.8487 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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