| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Hydroxyacetone does not have a well-defined pharmacological target, as it is primarily a chemical reagent and endogenous metabolite. It may interact with various enzymes and receptors as a xenobiotic, but its specific binding targets have not been fully characterized. The compound's hydroxyketone structure makes it reactive and capable of undergoing various chemical reactions. It is not used as a therapeutic agent.
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|---|---|
| ln Vitro |
Hydroxyacetone does not possess significant pharmacological activity as a pure compound in typical in vitro assays, as it is primarily used as a chemical reagent. Studies may involve evaluating its reactivity in organic synthesis or its presence as a metabolite in biological samples. The compound is used in the synthesis of imidazole compounds, which can serve as effective oral antihypertensive agents. It is not studied for specific biological activities.
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| ln Vivo |
In vivo activity of Hydroxyacetone is related to its role as an endogenous metabolite. It is found in humans and E. coli and is metabolized by the body. However, the compound is not used therapeutically, and comprehensive in vivo studies evaluating its pharmacokinetic properties, efficacy, and safety are limited. Its toxicity profile is primarily related to its use as a chemical reagent.
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| Enzyme Assay |
In vitro enzyme/receptor binding experiments for Hydroxyacetone are not typical, as it is a chemical reagent rather than a pharmacologically active compound. Studies may involve measuring its reactivity with various reagents or its presence as a metabolite in biological samples. Its chemical properties are characterized using standard analytical methods such as GC and HPLC. The compound is also used as a reference standard in analytical chemistry.
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| Cell Assay |
In vitro cellular experiments for Hydroxyacetone are not typical, as it is a chemical reagent rather than a pharmacologically active compound. The compound may be used in studies to evaluate its cytotoxicity or its metabolism in cell lines. However, comprehensive in vitro cellular studies are limited. The compound's hydroxyketone group can react with cellular nucleophiles, which may contribute to its biological effects.
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| Animal Protocol |
In vivo animal experiments for Hydroxyacetone are not typical, as it is a chemical reagent rather than a drug candidate. Studies may involve administering the compound to animals to study its metabolism or toxicity. The compound is a known irritant and should be handled with care. Comprehensive in vivo studies evaluating its pharmacokinetic properties are limited.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Hydroxyacetone have not been extensively characterized. With a molecular weight of 74.08, the compound is expected to be readily absorbed and distributed. It is soluble in water and has a boiling point of 145-146°C. The compound is volatile and can be absorbed through inhalation and skin contact. Detailed pharmacokinetic studies are limited.
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| Toxicity/Toxicokinetics |
Toxicological data for Hydroxyacetone indicate that it may be an irritant. As a ketone and alcohol, it may cause skin and eye irritation and may be harmful if ingested or inhaled. The compound should be handled with care, and standard safety protocols for handling ketones and alcohols should be followed, including the use of personal protective equipment and working in a well-ventilated area.
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| Additional Infomation |
Hydroxyacetone is a type of acetone whose structure is formed by replacing one methyl hydrogen atom with a hydroxyl group in the acetone molecule. It is found in humans, E. coli, and mice as a metabolic product. Hydroxyacetone belongs to the acetone class, methyl ketone class, primary alcohol class, and primary α-hydroxy ketone class of compounds, and its function is closely related to that of acetone. It has been reported to be detected in durian (Durio zibethinus), chili pepper (Capsicum annuum), and other organisms with relevant data.
Hydroxyacetone is a research chemical that has not entered clinical trials or received regulatory approval for therapeutic use. It is primarily used as a chemical reagent in organic synthesis, including the Mannich reaction and aldol reactions. The compound is also an endogenous metabolite and is found in humans and E. coli. It is also known as Acetol. Its dual reactivity as both a ketone and an alcohol makes it a valuable building block in organic synthesis. |
| Molecular Formula |
C3H6O2
|
|---|---|
| Molecular Weight |
74.0785
|
| Exact Mass |
74.036
|
| CAS # |
116-09-6
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| PubChem CID |
8299
|
| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
145.5±0.0 °C at 760 mmHg
|
| Melting Point |
−17 °C(lit.)
|
| Flash Point |
52.2±11.0 °C
|
| Vapour Pressure |
1.9±0.5 mmHg at 25°C
|
| Index of Refraction |
1.397
|
| LogP |
-0.78
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
5
|
| Complexity |
40.2
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C([H])([H])C(C([H])([H])[H])=O
|
| InChi Key |
XLSMFKSTNGKWQX-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
|
| Chemical Name |
1-hydroxypropan-2-one
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~1349.89 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (33.75 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 (33.75 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 (33.75 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 | 13.4989 mL | 67.4946 mL | 134.9892 mL | |
| 5 mM | 2.6998 mL | 13.4989 mL | 26.9978 mL | |
| 10 mM | 1.3499 mL | 6.7495 mL | 13.4989 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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