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1-(Thiazol-2-yl)ethan-1-on
1-(thiazol-2-yl)ethan-1-one · 2-Acetylthiazol · FEMA 3328 · 1-(1,3-Thiazol-2-yl)ethanone · Acetylthiazole · FEMA NUMBER 3328 · 2-ACETYLTHIAZOLE · 2-acetylthiazone
Identifikatoren & physikalische Daten
| CAS No. | 24295-03-2 |
|---|---|
| Summenformel | C5H5NOS |
| Durchschnittliche Molmasse | 127,17 g/mol |
| Monoisotopische Masse | 127,00918496 g/mol |
| SMILES | CC(=O)c1nccs1 |
| InChIKey | MOMFXATYAINJML-UHFFFAOYSA-N |
| PubChem CID | 520108 |
| ChEMBL | CHEMBL1589555 |
| ChEBI | CHEBI:173474 |
| EC No. | 246-134-5 |
| DTXSID | DTXSID0030162 |
| Lokaler Name | 1-(Thiazol-2-yl)ethan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 105 |
| Dichte | 1.225-1.2291.227 g/mL at 25 °C (lit.) |
| Löslichkeit | Insoluble in waterSoluble in fats, oils, most organic solventsMiscible at room temperature (in ethanol) |
| Siedepunkt | 89.00 to 91.00 °C. @ 12.00 mm Hg89-91 °C (12 mm Hg)89-91 °C/12 mmHg (lit.) |
| Schmelzpunkt | 64.5 - 65.5 °C65.5°C |
| Brechungsindex | 1.543-1.550n20/D 1.548(lit.) |
| Physical Description | SolidClear, colourless to pale yellow, oily liquidcocoa, hazelnut, popcorn, bread-like odour |
| Kovats Retention Index | 98198610591038989979980995976973992993106410351042102510191008104610181014103610271040102016611652163716741644163516541660159616341667166216551610161516201646 |
| FEMA | 3328 | 2-ACETYLTHIAZOLE |
| Flammpunkt | 173 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Powder or Crystals |
| pKa (Säurekonstante) | 0.05±0.10(Predicted) |
| Wichte | 1.23 |
| Farbe | White to slightly yellow |
| Geruch | at 0.10 % in dipropylene glycol. nutty popcorn roasted peanuts hazelnut |
| Geruchsart | popcorn |
| Biologische Quelle | synthetic |
| JECFA Number | 1041 |
| BRN | 109803 |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3 |
| InChIKey | MOMFXATYAINJML-UHFFFAOYSA-N |
| SMILES | CC(=O)c1nccs1 |
| LogP (Verteilungskoeffizient) | 0.37 |
| CAS Datenbank | 24295-03-2(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Acetylthiazole(24295-03-2) |
| EPA chemische Informationen | Ethanone, 1-(2-thiazolyl)- (24295-03-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 9.7% (153 of 1570) of reports.WarningH302 (90.1%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1570 reports by companies from 13 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 153 of 1570 reports by companies.There are 12 notifications provided by 1417 of 1570 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanone, 1-(2-thiazolyl)-Regulation (EC) No 1831/2003 (amended)Ethanone, 1-(2-thiazolyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Ethanone, 1-(2-thiazolyl)-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (90.1%) |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3334 |
| Zollcode | 29341000 |
| R-Sätze (R) | 22-36-43-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant/Stench |
| Sicherheitshinweise (S) | 26-36/37-24/25-36 |
| Gefahrenklasse | STENCH |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Occurrence
2-Acetylthiazole is naturally found in raw asparagus, cooked asparagus, kohlrabi, cooked or boiled potatoes, turkey (roasted), raw chicken, boiled and cooked beef, grilled and roasted beef, pork liver, beer, Finnish whiskey, heated beans, other varieties of mushroom, rice bran, maize, and other natural sources.
Verwenden
2-Acetylthiazole can be used as a flavoring agent in food industries. It may be used as a food additive in the preparation of ′fragrant′ rice. It also was used in the preparation of triazolothiazoles, chiral alcohols and in aldol condensation reactions.
Herstellung & Synthese
synthetische
2-Acetylthiazole is formed by oxidation of the corresponding carbinol using dichromate.