| Size | Price | Stock | Qty |
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| 10g |
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| Other Sizes |
| Targets |
The primary targets of 2-Methylacetophenone are olfactory and taste receptors, as it functions primarily as a flavor and fragrance ingredient. As an endogenous metabolite, it may interact with various metabolic pathways. Aromatic ketones are known to have various biological activities, and this compound may have additional, as-yet-unidentified physiological functions. These characteristics make it relevant for research in flavor chemistry, food science, and metabolomics.
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| ln Vitro |
In vitro, 2-Methylacetophenone is studied for its organoleptic properties as a flavor and fragrance compound. It is evaluated in sensory assays to characterize its sweet, hawthorn, powdery, and honey aroma profile. The compound is used in the development of flavor and fragrance formulations. These in vitro activities support its use in food science, flavor chemistry, and fragrance research.
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| ln Vivo |
In vivo, 2-Methylacetophenone is used as a flavor and fragrance ingredient in consumer products at approved concentrations. It has established regulatory approval for use in food and cosmetic applications. As an endogenous metabolite, it is naturally present in the body and may have physiological functions related to normal metabolism. However, its specific in vivo effects have not been extensively studied beyond its sensory properties and safety evaluation.
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| Enzyme Assay |
In vitro enzyme/receptor binding (cell-free) assays for 2-Methylacetophenone are not typically conducted, as it is not a conventional enzyme inhibitor or receptor ligand. However, its metabolism can be studied using liver microsomes or recombinant enzymes. The compound is incubated with enzyme preparations at concentrations ranging from 0.1-1000 μM, and metabolite formation is monitored by GC-MS or LC-MS. All assays include appropriate controls and reference compounds.
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| Cell Assay |
In vitro cell-based assays for 2-Methylacetophenone are limited, as the compound is primarily used as a flavor and fragrance ingredient. Cytotoxicity studies may be performed to assess safety. Cells are treated with compound concentrations ranging from 0.1-1000 μM for 24-72 hours. Cell viability is assessed using MTT assays. All experiments include vehicle controls.
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| Animal Protocol |
In vivo animal studies with 2-Methylacetophenone are limited to safety and toxicology assessments for regulatory approval as a flavor and fragrance ingredient. The compound is administered via oral gavage or dermal application at various doses. Toxicity and irritation potential are evaluated. The compound has established regulatory approval for use in food and cosmetic applications. Each group consists of 6-10 animals with appropriate controls.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2-Methylacetophenone include its absorption through oral and dermal routes. As a small, lipophilic molecule, it is expected to have good bioavailability and tissue distribution. Metabolism likely occurs through oxidation of the methyl group and the acetyl group, followed by conjugation and renal excretion. Detailed PK parameters are available from safety studies.
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| Toxicity/Toxicokinetics |
Toxicological data for 2-Methylacetophenone indicate that it is generally recognized as safe for use as a flavor and fragrance ingredient at approved concentrations. No significant toxicity has been reported at typical exposure levels. The compound has been evaluated by the FDA and is included in the Substances Added to Food inventory. As with all chemicals, appropriate safety precautions should be taken during handling.
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| Additional Infomation |
2'-Methylacetophenone is a type of acetophenone compound, with its structure consisting of a methyl group replacing the 2-position of acetophenone. It is a fungal metabolite, acaricide, and flavoring agent. It belongs to both the acetophenone and toluene classes of compounds. 2'-Methylacetophenone has been reported to exist in upland cotton (Gossypium hirsutum), star fruit (Averrhoa carambola), and human (Homo sapiens), and relevant data are available.
2-Methylacetophenone is an aromatic ketone and endogenous metabolite used as a flavor and fragrance ingredient with a sweet, hawthorn, and honey aroma. It is used in acacia, butterscotch, black currant, grape, and vanilla flavors and fragrances. The compound is not approved as a therapeutic agent and is intended for research and commercial applications as a flavor and fragrance ingredient. |
| Molecular Formula |
C₉H₁₀O
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|---|---|
| Molecular Weight |
134.18
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| Exact Mass |
134.073
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| CAS # |
577-16-2
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| PubChem CID |
11340
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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 |
214.0±0.0 °C at 760 mmHg
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| Flash Point |
75.6±0.0 °C
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| Vapour Pressure |
0.2±0.4 mmHg at 25°C
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| Index of Refraction |
1.511
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| LogP |
2.13
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
10
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| Complexity |
129
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H]
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| InChi Key |
YXWWHNCQZBVZPV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
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| Chemical Name |
1-(2-methylphenyl)ethanone
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| Synonyms |
2Methylacetophenone; 2 Methylacetophenone
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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 (~745.27 mM)
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| 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.
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