HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Mercapto-2-propanone
1-Mercaptopropan-2-one · 1-sulfanylpropan-2-one · 2-Propanone, 1-mercapto- · 1-mercapto-2-Propanone USP/EP/BP · 2-Propanone, 1-mercapto- USP/EP/BP · 2-Propanone, 1-mercapto- (8CI,9CI)
Identifikatoren & physikalische Daten
| CAS No. | 24653-75-6 |
|---|---|
| Summenformel | C3H6OS |
| Durchschnittliche Molmasse | 90,15 g/mol |
| Monoisotopische Masse | 90,01393581 g/mol |
| SMILES | CC(=O)CS |
| InChIKey | USVCRBGYQRVTNK-UHFFFAOYSA-N |
| PubChem CID | 520144 |
| ChEBI | CHEBI:89835 |
| EC No. | 639-011-6 |
| DTXSID | DTXSID50179396 |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 42,2 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.817-0.8471.010±0.06 g/cm3(Predicted) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | slightlysoluble in oil and alcohol(in ethanol) |
| Siedepunkt | 47.00 to 49.00 °C. @ 19.00 mm Hg47-49 °C (19 mm Hg)130-135 °C(Press: 10 Torr) |
| Schmelzpunkt | 112 - 114 °C45 °C |
| Brechungsindex | 1.455-1.465 |
| Physical Description | Solidcolourless to pale yellow liquid |
| FEMA | 3856 | 1-MERCAPTO-2-PROPANONE |
| pKa (Säurekonstante) | 7.94±0.10(Predicted) |
| JECFA Number | 557 |
| LogP (Verteilungskoeffizient) | 0.32 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 60.9% (78 of 128) of all reports.WarningH302 (30.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 128 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 2-Propanone, 1-mercapto-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (30.5%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Occurrence
Reported present in meat aroma model system and uncured boiled pork.