| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
||
| Other Sizes |
| ADME/Pharmacokinetics |
Metabolism / Metabolites
…In rats, acetophenone appears to be a precursor not only to mandelic acid and benzoylcarboxylic acid, but also to benzoic acid. …The reductive cleavage of purified p450 with hydroperoxide in a recombinant system containing reduced nicotinamide adenine dinucleotide phosphate was investigated. …Treatment with cumene hydroperoxide yielded acetophenone, but not cumene alcohol, suggesting a rearrangement reaction that may involve a radical intermediate and generate an additional single-carbon product. Early studies found that 1-phenylethanol, benzoic acid, and mandelic acid are metabolites of acetophenone in rabbit and dog urine. Studies found that after oral administration of acetophenone to rabbits, 47% of the dose was excreted as a glucuronide conjugate of 1-phenylethanol, and approximately 20% as hippuric acid. Another study reported that in rabbits administered via intraperitoneal injection, 1-phenylethanol and its glucuronide conjugates accounted for only about 4% of the dose. ...m-hydroxyacetophenone, p-hydroxyacetophenone, and ω-hydroxyacetophenone are minor metabolites of acetophenone in rabbit urine (<1% of the dose). ...After intraperitoneal injection of 100 mg/kg of radiolabeled acetophenone, 10% was excreted as carbon dioxide after 4 hours, and this proportion increased to 30% after 13 hours. ...Mendelian acid was detected in the urine of rats that received intraperitoneal injection of acetophenone, and...this metabolite is likely derived from ω-hydroxyacetophenone. |
|---|---|
| References | |
| Additional Infomation |
Acetophenone is a colorless liquid with a sweet, spicy taste, similar to that of an orange. It solidifies at low temperatures. It is slightly soluble in water, but denser than water, and therefore sinks. Its vapor is heavier than air. It is slightly irritating to the skin and eyes. High concentrations of vapor have an anesthetic effect. It is used as a fragrance, solvent, and polymerization catalyst. Acetophenone is a methyl ketone, formed by replacing one methyl group in the acetone molecule with a phenyl group. It is a photosensitizer, animal metabolite, and exogenous substance. Acetophenone is used in soaps and perfumes as a fragrance, in food flavorings, and as a solvent for plastics and resins. Short-term exposure to acetophenone vapor may cause skin irritation and transient corneal damage. Currently, there is no information on the chronic (long-term), reproductive, developmental, or carcinogenic effects of acetophenone on humans. The U.S. Environmental Protection Agency (EPA) has classified acetophenone as a Group D substance, meaning its carcinogenicity in humans cannot be determined. Acetophenone has been reported to be detected in tea plants (Camellia sinensis), wild grass (Elsholtzia eriostachya), and other organisms with relevant data. Acetophenone is a metabolite of, or is 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 |
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
