| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
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| Other Sizes |
|
| ADME/Pharmacokinetics |
Metabolism / Metabolites
... In rats acetophenone appears to be precursor of not only mandelic acid and benzoylformic acid but benzoic acid as well. ... The reductive cleavage of hydroperoxides by purified p450 in a reconstituted system containing reduced nicotinamide adenine dinucleotide phosphate was studied. ... With cumyl hydroperoxide, acetophenone was produced, but not cumyl alcohol, indicating that a rearrangement had taken place, probably involving radical intermediates, with the formation of an additional 1-carbon product. Early studies identified 1-phenylethanol, benzoic acid, and mandelic acid as urinary metabolites of acetophenone in rabbits and dogs. /It was/ found that rabbits administered acetophenone by gavage excreted 47% of the dose as glucuronide conjugates of 1-phenylethanol and about 20% as hippuric acid. /Another study/... reported that 1-phenylethanol and its glucuronide conjugate constituted only about 4% of the dose for rabbits treated by the ip route. ... m-Hydroxyacetophenone, p-hydroxyacetophenone, and w-hydroxyacetophenone as minor urinary metabolites of acetophenone (<1% of the dose) in rabbits. ...10% of a 100 mg/kg ip dose of radiolabeled acetophenone was excreted as /carbon dioxide/ after 4 hr and that the amount increased to 30% after 13 hr. ... Mendelic acid was present in the urine of rats treated ip with acetophenone and ... this metabolite most likely arose from w-hydroxyacetophenone. |
|---|---|
| References | |
| Additional Infomation |
Acetophenone appears as a colorless liquid with a sweet pungent taste and odor resembling the odor of oranges. Freezes under cool conditions. Slightly soluble in water and denser than water. Hence sinks in water. Vapor heavier than air. A mild irritant to skin and eyes. Vapors can be narcotic in high concentrations. Used as a flavoring, solvent, and polymerization catalyst.
Acetophenone is a methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. It has a role as a photosensitizing agent, an animal metabolite and a xenobiotic. Acetophenone is used for fragrance in soaps and perfumes, as a flavoring agent in foods, and as a solvent for plastics and resins. Acute (short-term) exposure to acetophenone vapor may produce skin irritation and transient corneal injury in humans. No information is available on the chronic (long-term), reproductive, developmental, or carcinogenic effects of acetophenone in humans. EPA has classified acetophenone as a Group D, not classifiable as to human carcinogenicity. Acetophenone has been reported in Camellia sinensis, Elsholtzia eriostachya, and other organisms with data available. Acetophenone is a metabolite found in or produced by Saccharomyces cerevisiae. |
| Molecular Formula |
C8H8O
|
|---|---|
| Molecular Weight |
120.15
|
| Exact Mass |
120.057
|
| CAS # |
98-86-2
|
| Related CAS # |
Acetophenone-(phenyl-d5);28077-64-7;Acetophenone-d8;19547-00-3;Acetophenone-1,2-13C2;190314-15-9;Acetophenone-13C;71777-36-1;Acetophenone-d3;17537-31-4
|
| PubChem CID |
7410
|
| Appearance |
Colorless to light yellow <19°C powder,>20°C liquid
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
202.0±0.0 °C at 760 mmHg
|
| Melting Point |
19.6ºC
|
| Flash Point |
82.2±0.0 °C
|
| Vapour Pressure |
0.3±0.4 mmHg at 25°C
|
| Index of Refraction |
1.512
|
| LogP |
1.66
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
9
|
| Complexity |
101
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(C([H])([H])[H])C1C([H])=C([H])C([H])=C([H])C=1[H]
|
| InChi Key |
KWOLFJPFCHCOCG-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
|
| Chemical Name |
Acetophenone
|
| Synonyms |
Acetophenone AcetylbenzeneAcetophenon Benzoylmethide Benzoyl methide
|
| 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 (~832.29 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (20.81 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 (20.81 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 (20.81 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 | 8.3229 mL | 41.6146 mL | 83.2293 mL | |
| 5 mM | 1.6646 mL | 8.3229 mL | 16.6459 mL | |
| 10 mM | 0.8323 mL | 4.1615 mL | 8.3229 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT03305328 | Completed | Device: Transcranial Alternating Current Stimulation |
Anxiety Disorders and Symptoms Sensory Disorders |
Florida State University | July 29, 2016 | Not Applicable |
| NCT02177279 | Completed | Other: Visit A high wheat bran | Bio-availability of Wheat Bran Phytochemicals in the Human Gut |
University of Aberdeen | December 2011 | Not Applicable |
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