HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(Methylthio)acetaldehyd
(Methylthio)ethanal · 2-Methylthioacetaldehyde · (methylthio)acetaldehyde · Acetaldehyde, (methylthio)- · 2-Methylsulfanylacetaldehyde · 2-METHYL THIOACETALDEHYDE,98% · Acetaldehyde, 2-(methylthio)- · 2-(Methyl mercapto)acetaldehyde
Identifikatoren & physikalische Daten
| CAS No. | 23328-62-3 |
|---|---|
| Summenformel | C3H6OS |
| Durchschnittliche Molmasse | 90,15 g/mol |
| Monoisotopische Masse | 90,01393598 g/mol |
| SMILES | CSCC=O |
| InChIKey | NCNSBFDGXBKAKB-UHFFFAOYSA-N |
| PubChem CID | 10887828 |
| ChEBI | CHEBI:141184 |
| EC No. | 245-587-6 |
| DTXSID | DTXSID0066876 |
| Lokaler Name | (Methylthio)acetaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 28,1 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.045-1.0551.0591 g/cm3 |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | (in ethanol) |
| Siedepunkt | 70 °C125-138 °C |
| Brechungsindex | 1.466 |
| Physical Description | colourless liquid |
| FEMA | 3206 | 2-METHYLTHIOACETALDEHYDE |
| Geruch | at 0.10 % in propylene glycol. sulfurous vegetable onion garlic mustard nutty potato |
| Geruchsart | sulfurous |
| JECFA Number | 465 |
| LogP (Verteilungskoeffizient) | 0.49 |
| CAS Datenbank | 23328-62-3 |
| EPA chemische Informationen | Acetaldehyde, (methylthio)- (23328-62-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 98.9% (91 of 92) of all reports.Not ClassifiedAggregated GHS information provided per 92 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Acetaldehyde, (methylthio)-Acetaldehyde, (methylthio)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Not Classified |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Beschreibung
May be prepared by hydrolysis of the diethyl acetal of 2-methyl thioacetaldehyde with diluted HCL; the diethyl acetal is prepared from diethylbromoacetal treated with sodium methyl mercaptide.
Occurrence
Reported found in tomato, potato chips, coffee and malt.
Herstellung & Synthese
synthetische
By hydrolysis of the diethyl acetal of 2-methyl thioacetaldehyde with diluted HCl; the diethyl acetal is prepared from diethylbromoacetal treated with sodium methyl mercaptide