| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
| Targets |
1-Phenylpropane-1,2-dione targets chemical reaction pathways as a chemical intermediate rather than biological targets. As a diketone, it can participate in various chemical reactions including condensation, oxidation, and reduction. Its role as a chemical intermediate suggests it can be used to synthesize compounds with diverse biological targets. The compound is also used as a flavoring agent.
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|---|---|
| ln Vitro |
The distinct and taxonomically restricted adrenergic agonists phenylpropylamino alkaloids, sometimes referred to as ephedrine alkaloids, are the primary active ingredients in E. sinica[1].
In vitro studies of 1-Phenylpropane-1,2-dione have focused on its role as a chemical intermediate and flavoring agent. The compound's reactivity and stability have been characterized in various chemical reactions. Its sensory properties as a flavoring agent have been evaluated. These in vitro studies provide foundational data for understanding the compound's utility in organic synthesis and flavor chemistry. |
| ln Vivo |
In vivo studies of 1-Phenylpropane-1,2-dione are limited as the compound is primarily used as a research chemical and chemical intermediate. As a flavoring agent, it is consumed in small amounts in foods. However, comprehensive in vivo pharmacological studies specifically targeting 1-Phenylpropane-1,2-dione are not well documented. The compound is intended for research use only.
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| Enzyme Assay |
In vitro chemical assays for 1-Phenylpropane-1,2-dione involve testing its purity and reactivity as a chemical intermediate. The compound's purity and identity are confirmed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy, high-performance liquid chromatography, and mass spectrometry. Its reactivity in chemical reactions is evaluated using standard organic chemistry techniques. All assays are performed with appropriate controls.
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| Cell Assay |
In vitro cell-based assays for 1-Phenylpropane-1,2-dione are limited as the compound is primarily used as a chemical intermediate rather than a biological agent. Its derivatives may be evaluated in cell-based assays for their biological activities. However, comprehensive cell-based studies specifically targeting the parent compound are not well documented. The compound is primarily used in organic synthesis applications.
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| Animal Protocol |
In vivo animal experiments for 1-Phenylpropane-1,2-dione are not well documented as the compound is primarily used as a chemical intermediate rather than a therapeutic agent. For toxicology studies, animals may be administered the compound to evaluate its safety profile. Parameters assessed would include body weight, organ weights, and histopathology. All procedures would comply with institutional animal care and use committee guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 1-Phenylpropane-1,2-dione reflect its nature as a small diketone. It has a molecular weight of 148.16 and the molecular formula C9H8O2. As a small lipophilic molecule, it would be absorbed through the gastrointestinal tract and metabolized through standard xenobiotic pathways in the liver. Complete pharmacokinetic profiling would require further systematic studies.
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| Toxicity/Toxicokinetics |
The toxicity profile of 1-Phenylpropane-1,2-dione has been evaluated in the context of its use as a research chemical and flavoring agent. As a diketone, it may have irritant properties. Proper handling procedures including use of personal protective equipment are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for research purposes only.
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| References |
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| Additional Infomation |
1-Phenylacetyl-1,2-propanedione is an α-diketone composed of 1-phenylpropane with ketone substituents at the 1 and 2 positions. It is found in coffee and is a plant metabolite. It is both an α-diketone and an aromatic ketone. It is derived from the hydride of propylbenzene.
1-Phenylpropane-1,2-dione (CAS# 579-07-7) is also known as 1-phenyl-1,2-propanedione. It has the molecular formula C9H8O2 and a molecular weight of 148.16. The compound is a diketone featuring a phenyl group attached to a propanedione moiety. It is used as a chemical intermediate in organic synthesis and as a flavoring agent. It is intended for research use only. |
| Molecular Formula |
C9H8O2
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|---|---|
| Molecular Weight |
148.16
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| Exact Mass |
148.052
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| CAS # |
579-07-7
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| PubChem CID |
11363
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| Appearance |
Light yellow to yellow liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
228.0±9.0 °C at 760 mmHg
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| Melting Point |
< 20 °C
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| Flash Point |
84.4±0.0 °C
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| Vapour Pressure |
0.1±0.5 mmHg at 25°C
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| Index of Refraction |
1.520
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| LogP |
0.82
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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 |
2
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| Heavy Atom Count |
11
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| Complexity |
166
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C(C([H])([H])[H])=O)C1C([H])=C([H])C([H])=C([H])C=1[H]
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| InChi Key |
BVQVLAIMHVDZEL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H.3
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| Chemical Name |
1-Phenylpropane-1,2-dione
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| Synonyms |
1-Phenylpropane-1,2-dione; 1-phenyl-1,2-propanedione
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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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). 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: ≥ 290 mg/mL (1957.34 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.42 mg/mL (16.33 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 24.2 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: ≥ 2.42 mg/mL (16.33 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 24.2 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: ≥ 2.42 mg/mL (16.33 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 | 6.7495 mL | 33.7473 mL | 67.4946 mL | |
| 5 mM | 1.3499 mL | 6.7495 mL | 13.4989 mL | |
| 10 mM | 0.6749 mL | 3.3747 mL | 6.7495 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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