Introduction：Basic information about Phenylacetone CAS 103-79-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Phenylacetone Basic information
| Product Name: | Phenylacetone |
| Synonyms: | 1-PHENYLACETONE;1-PHENYL-2-PROPANONE;2-Propanone, 1-phenyl-;2-Propanone,1-phenyl-;3-Phenyl-2-propanone;alpha-Phenylacetone;Benaylmethyldetone;Fenproporex-M (desamino-oxo-) |
| CAS: | 103-79-7 |
| MF: | C9H10O |
| MW: | 134.18 |
| EINECS: | 203-144-4 |
| Product Categories: | Aromatics;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals;ACETYLGROUP;Pharmaceutical Intermediates |
| Mol File: | 103-79-7.mol |
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Phenylacetone Chemical Properties
| Melting point | -15 °C |
| Boiling point | 216 °C |
| density | 1.003 g/mL at 20 °C(lit.) |
| refractive index | 1.5155-1.5175 |
| Fp | 83°C |
| storage temp. | Controlled Substance, -20°C Freezer |
| solubility | DMSO: 30 mg/ml; Ethanol: 30 mg/ml; Methanol: 50 mg/ml |
| Water Solubility | Insoluble |
| BRN | 742120 |
| Major Application | pharmaceutical |
| InChI | 1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| InChIKey | QCCDLTOVEPVEJK-UHFFFAOYSA-N |
| SMILES | CC(=O)Cc1ccccc1 |
| LogP | 1.440 |
| CAS DataBase Reference | 103-79-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzyl methyl ketone(103-79-7) |
| EPA Substance Registry System | 2-Propanone, 1-phenyl- (103-79-7) |
Safety Information
| Safety Statements | 24/25 |
| WGK Germany | 3 |
| RTECS | UC3500100 |
| TSCA | TSCA listed |
| HS Code | 29143910 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 |
| Hazardous Substances Data | 103-79-7(Hazardous Substances Data) |
| Toxicity | LD50 intraperitoneal in mouse: 540mg/kg |
| DEA Controlled Substances | CSCN: 8501
CSA SCH: Schedule II
NARC: No |
Phenylacetone Usage And Synthesis
| Description | Phenylacetone (exempt preparation) (Item No. 16444) is an analytical reference standard categorized as a precursor in the synthesis of amphetamine and methamphetamine. Phenylacetone is regulated as a Schedule II compound in the United States. Phenylacetone (exempt preparation) (Item No. 16444) is provided as a DEA exempt preparation. This product is intended for research and forensic applications. |
| Chemical Properties | 1-Phenyl-2-propanone is a colorless liquid with a pleasant odor; it is insoluble in water and soluble in organic solvents. |
| Uses | A metabolite of Lisdexamfetamine dimesylate. 1-Phenyl-2-propanone is used as an intermediate for the synthesis of pharmaceuticals, e.g., Prenylamine, a coronary vasodilator (Hoechst) . |
| Uses | In organic synthesis; production of benzyl radicals by photolysis. |
| Definition | ChEBI: Phenylacetone is a propanone that is propan-2-one substituted by a phenyl group at position 1. It is a member of propanones and a methyl ketone. |
| Production Methods | 1-Phenyl-2-propanone is produced by catalytic ketonization of phenylacetic acid with acetic acid over an alumina-supported cerium oxide catalyst at 400 – 500℃. It may also be produced by the rearrangement of phenylpropylene oxide on zeolites or oxidation of 2-phenylpropanol. |
| References | [1] W KRAWCZYK. Impurity profiling/comparative analyses of samples of 1-phenyl-2-propanone.[J]. Bulletin on narcotics, 2005, 57 1-2: 33-62.
[2] A SINNEMA A M V. Impurities in illicit amphetamine: review.[J]. Bulletin on narcotics, 1981, 33 3: 37-54. |
Phenylacetone Preparation Products And Raw materials
| Raw materials | Benzaldehyde-->Phenylacetic acid-->Methyl 2-chloropropionate-->BENZYLMETHYLCARBINOL |
| Preparation Products | Benzoyl peroxide-->Acetamide-->DIPHACINONE-->Benzalacetone-->Bupropion-->1,1-Diphenylacetone-->1-Chloro-3-Phenylacetone-->Methoxyphenamine-->1-Bromo-1-phenyl-2-propanone-->1-(4-Chlorophenyl)-1-phenylacetone-->1-Phenyl-1,2-propanedione-->DL-Methamphetamine-->2-METHYL-1-PHENYL-1-BUTENE-->2-PHENYLPROPIONALDEHYDE-->1-TRIMETHYLSILYL-2-PYRROLIDINONE |
