| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
4'-Methylacetophenone does not have a specific well-defined pharmacological target. As an aromatic ketone, it may have antimicrobial activity due to its ability to dissolve lipids and proteins, disrupting lipid bilayers in cell membranes. Its mechanism of action is not fully understood, but it is suggested to react with fatty acids and pyrazole rings in the cell membrane. It is primarily used as a fragrance and flavoring agent.
|
|---|---|
| ln Vitro |
4'-Methylacetophenone exhibits in vitro antimicrobial activity. Its activity is assessed using standard broth microdilution methods to determine the minimum inhibitory concentration (MIC) against bacterial and fungal strains. Some acetophenone derivatives have been found to possess antifungal and antioxidant activities. These in vitro activities confirm its utility as a research compound for studying antimicrobial mechanisms.
|
| ln Vivo |
In vivo, 4'-methylacetophenone is primarily used as a fragrance and flavoring agent. It is widely found in volatile compounds in food. As a food additive, it is considered safe for consumption at low levels. Its antimicrobial activity may contribute to its preservative effects in food products.
|
| Enzyme Assay |
In vitro antimicrobial assays for 4'-methylacetophenone involve measuring its activity against bacterial and fungal strains. Standard broth microdilution or agar diffusion methods are employed to determine the minimum inhibitory concentration (MIC). The compound's mechanism of action is studied by assessing its effects on membrane integrity and lipid bilayer disruption.
|
| Cell Assay |
Cellular assays for 4'-methylacetophenone are limited, as its primary use is as a fragrance and flavoring agent. Its effects on cell membranes can be studied using model membrane systems or cell culture models. Cytotoxicity assays can be performed to assess its effects on cell viability.
|
| Animal Protocol |
In vivo animal experiments with 4'-methylacetophenone are primarily conducted for safety assessment as a fragrance and flavoring agent. Rodent models are used to assess acute and subchronic toxicity via oral, dermal, or inhalation routes. Clinical signs, body weight, and organ weights are monitored. These studies are important for assessing the safety of 4'-methylacetophenone for use in food and consumer products.
|
| ADME/Pharmacokinetics |
4'-Methylacetophenone is a small, lipophilic molecule with a molecular weight of 134.18 and a molecular formula of C9H10O. It is a liquid at room temperature and is soluble in organic solvents. Its pharmacokinetic properties are typical for small aromatic ketones; it is absorbed, metabolized, and excreted. The compound is typically stored at room temperature.
|
| Toxicity/Toxicokinetics |
4'-Methylacetophenone is considered to have low toxicity at levels used as a fragrance and flavoring agent. It is a mild skin and eye irritant. The compound is not classified as a carcinogen or mutagen. Standard laboratory safety precautions should be followed when handling this compound.
|
| References | |
| Additional Infomation |
4'-Methylacetophenone is an aromatic ketone. It has been reported to exist in citron (Citrus medica), Diplolophium africanum, and other organisms with relevant data. 4'-Methylacetophenone is a metabolite found in or produced by Saccharomyces cerevisiae.
4'-Methylacetophenone is an aromatic ketone used as a fragrance material and flavoring agent. It is widely found in volatile compounds in food and in certain natural compounds. It has antimicrobial activity and has been reported to exist in citron and Diplolophium africanum. It is also known as p-methylacetophenone. |
| Molecular Formula |
C₉H₁₀O
|
|---|---|
| Molecular Weight |
134.18
|
| Exact Mass |
134.073
|
| CAS # |
122-00-9
|
| Related CAS # |
4'-Methylacetophenone-d10;358730-83-3;4'-Methylacetophenone-d3;114379-92-9
|
| PubChem CID |
8500
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
211.0±9.0 °C at 760 mmHg
|
| Melting Point |
45-49 °C(lit.)
|
| Flash Point |
92.2±0.0 °C
|
| Vapour Pressure |
0.2±0.4 mmHg at 25°C
|
| Index of Refraction |
1.511
|
| LogP |
2.13
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
10
|
| Complexity |
121
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(C([H])([H])[H])C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H]
|
| InChi Key |
GNKZMNRKLCTJAY-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3
|
| Chemical Name |
1-(4-methylphenyl)ethanone
|
| Synonyms |
4'Methylacetophenone; 4' Methylacetophenone
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~745.27 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.63 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 (18.63 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 (18.63 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 | 7.4527 mL | 37.2634 mL | 74.5268 mL | |
| 5 mM | 1.4905 mL | 7.4527 mL | 14.9054 mL | |
| 10 mM | 0.7453 mL | 3.7263 mL | 7.4527 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
