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2',4'-Dimethylacetophenon
Ethanone, 1-(2,4-dimethylphenyl)- · 2,4-DIMETHYLACETOPHENONE · 1-(2,4-dimethylphenyl)-Ethanone · FEMA 2387 · Acetyl-m-xylene · ASISCHEM D29257 · 4-ACETYL-M-XYLENE · 4-Acetyl-m-xyletn
Identifikatoren & physikalische Daten
| CAS No. | 89-74-7 |
|---|---|
| Summenformel | C10H12O |
| Durchschnittliche Molmasse | 148,2 g/mol |
| Monoisotopische Masse | 148,088815 g/mol |
| SMILES | CC(=O)c1ccc(C)cc1C |
| InChIKey | HSDSKVWQTONQBJ-UHFFFAOYSA-N |
| PubChem CID | 6985 |
| ChEMBL | CHEMBL541939 |
| ChEBI | CHEBI:195895 |
| EC No. | 201-935-9 |
| DTXSID | DTXSID9058997 |
| Lokaler Name | 2',4'-Dimethylacetophenon |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 151 |
| SpringerMaterials Properties | Chemical shift |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.993-0.9990.997 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in watersoluble in organic solvents, oilsmiscible at room temperature (in ethanol)Chloroform (Soluble), Methanol (Slightly) |
| Siedepunkt | 117.00 to 118.00 °C. @ 18.00 mm Hg228 °C117-118 °C18 mm Hg(lit.) |
| Brechungsindex | 1.532-1.536n20/D 1.535(lit.) |
| Physical Description | colourless to slightly yellow oily liquid with a sweet, floral, woody, minty odour |
| Schmelzpunkt | 22.95°C |
| FEMA | 2387 | 2,4-DIMETHYLACETOPHENONE |
| Flammpunkt | 212 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | clear liquid |
| Farbe | White to Yellow to Green |
| Geruch | at 10.00 % in dipropylene glycol. floral woody sweet mimosa minty |
| Geruchsart | floral |
| Biologische Quelle | synthetic |
| JECFA Number | 809 |
| BRN | 956772 |
| InChI | 1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3 |
| InChIKey | HSDSKVWQTONQBJ-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc(C)cc1C |
| LogP (Verteilungskoeffizient) | 2.59 |
| CAS Datenbank | 89-74-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2,4-(CH3)2C6H3-COCH3(89-74-7) |
| EPA chemische Informationen | Ethanone, 1-(2,4-dimethylphenyl)- (89-74-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.Not ClassifiedAggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanone, 1-(2,4-dimethylphenyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Ethanone, 1-(2,4-dimethylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29143990 |
| R-Sätze (R) | 36-20/22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant/Harmful |
| Sicherheitshinweise (S) | 39-26-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Occurrence
Reported found in cinnamon bark, wine, tea, watercress and dried bonito.
Herstellung & Synthese
synthetische
By condensation of acetylchloride and m-xylene in the presence of aluminum chloride or in the presence of ferric chloride