| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Anisylacetone does not have a specific pharmacological target. It is a chemical intermediate and flavoring agent, not a drug. As a ketone, it may interact with various enzymes involved in metabolism, but its specific molecular targets are not defined in the context of pharmacological activity. The compound is not used as a therapeutic agent.
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|---|---|
| ln Vitro |
Anisylacetone is not a pharmacologically active compound in the traditional sense, and therefore does not have in vitro activity as a drug. It is used as a chemical reagent and flavoring agent. The compound's "activity" is limited to its chemical properties as a ketone and its use as a building block for organic synthesis.
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| ln Vivo |
Anisylacetone is not a pharmacologically active compound and therefore does not have in vivo activity as a drug. It is used as a flavoring agent and chemical intermediate. The compound is not administered to animals for pharmacological studies.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable for Anisylacetone, as it is not a pharmacologically active compound. The compound does not have a specific biological target. Its use is limited to chemical synthesis and as a flavoring agent.
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| Cell Assay |
Cellular assays are not typically performed for Anisylacetone, as it is not a pharmacologically active compound. Its use is limited to chemical synthesis and as a flavoring agent. The compound's biological activity, if any, is not relevant to its primary applications.
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| Animal Protocol |
In vivo animal studies are not applicable for Anisylacetone, as it is not a pharmacologically active compound. It is not intended for in vivo administration for pharmacological purposes. The compound is used as a flavoring agent and chemical intermediate.
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| ADME/Pharmacokinetics |
Anisylacetone has a molecular weight that is not specified in the available literature. It has a melting point of 8°C and a boiling point of 152-153°C at 15 mmHg. The compound has a density of 1.046 g/mL at 25°C. It is a clear, colorless to pale yellow liquid. However, pharmacokinetic parameters are not applicable, as the compound is not a drug.
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| Toxicity/Toxicokinetics |
Anisylacetone is generally recognized as safe for use as a flavoring agent in food. However, comprehensive toxicology data for this compound are not extensively reported. As a chemical reagent and flavoring agent, it is not intended for human consumption in large quantities. Specific toxicological data, including acute toxicity, genotoxicity, and target organ effects, are not reported in the available literature.
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| References | |
| Additional Infomation |
4-(4-Methoxyphenyl)-2-butanone is a member of the methoxyphenyl group. It has been reported that 4-(4-methoxyphenyl)-2-butanone has been found in the genus Aquilaria (Aquilaria malaccensis), and relevant data are available for reference.
Anisylacetone is a chemical compound used primarily as a flavoring agent and as a chemical intermediate in organic synthesis. It is also known as 4-(p-methoxyphenyl)-2-butanone or 4-methoxybenzylacetone. The compound is not a drug and is not approved for clinical use. Its applications are limited to the food and chemical industries. |
| Molecular Formula |
C11H14O2
|
|---|---|
| Molecular Weight |
178.22766
|
| Exact Mass |
178.099
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| CAS # |
104-20-1
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| PubChem CID |
61007
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
280.3±0.0 °C at 760 mmHg
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| Melting Point |
8 °C(lit.)
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| Flash Point |
112.0±13.9 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.499
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| LogP |
1.59
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
13
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| Complexity |
158
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(=O)CCC1=CC=C(C=C1)OC
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| InChi Key |
PCBSXBYCASFXTM-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
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| Chemical Name |
4-(4-methoxyphenyl)butan-2-one
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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) |
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 | 5.6107 mL | 28.0536 mL | 56.1073 mL | |
| 5 mM | 1.1221 mL | 5.6107 mL | 11.2215 mL | |
| 10 mM | 0.5611 mL | 2.8054 mL | 5.6107 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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