HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Methylthio-2-propanone
(METHYLTHIO)ACETONE · Methylthio propanone · 1-Methylthiopropanone · 1-(methylthio)acetone · acetonyl methyl sulfide · Acetonyl methyl sulphide · 1-Methylthio-2-propanone · (Methylthio)acetone, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 14109-72-9 |
|---|---|
| Summenformel | C4H8OS |
| Durchschnittliche Molmasse | 104,17 g/mol |
| Monoisotopische Masse | 104,02958588 g/mol |
| SMILES | CSCC(C)=O |
| InChIKey | UKFADLGENFFWHR-UHFFFAOYSA-N |
| PubChem CID | 6430713 |
| ChEBI | CHEBI:179438 |
| EC No. | 604-217-7 |
| DTXSID | DTXSID30161572 |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 51,5 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.967-0.9731,023 g/cm3 |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | very slightlyvery slightly soluble in watersoluble in alcohols and oils(in ethanol)Chloroform (Sparingly), Methanol (Slightly)Soluble in alcohol and slightly soluble in water. |
| Siedepunkt | 35.00 to 40.00 °C. @ 15.00 mm Hg35-40 °C (15 mm Hg)69-70°C 30mm |
| Brechungsindex | 1.395-1.4051.4740 |
| Physical Description | colourless to pale yellow liquid with odour of melon |
| FEMA | 3882 | 1-METHYLTHIO-2-PROPANONE |
| Flammpunkt | 52°C |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Wichte | 1.023 |
| Geruch | at 0.10 % in dipropylene glycol. melon |
| Geruchsart | melon |
| JECFA Number | 495 |
| BRN | 1737738 |
| LogP (Verteilungskoeffizient) | 0.49 |
| CAS Datenbank | 14109-72-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1383 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Propanone, 1-(methylthio)- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| UN-Transportnummer | 1224 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 23-24/25 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
1-Methylthio-2-propanone is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.