HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl-(methylthio)acetat
FEMA 3835 · ETHYL 2-(METHYLTHIO)ACETATE · Ethyl (methylthio)acetate · 5-PHENYL-O-ANISIDINE, 98+% · Ethyl(Methylthio)acetate>Ethyl(methylthio)acetate,98% · Ethyl (methylsulfanyl)acetate · Ethyl (methylthio)acetate,95% · ethyl 2-methylsulfanylacetate
Identifikatoren & physikalische Daten
| CAS No. | 4455-13-4 |
|---|---|
| Summenformel | C5H10O2S |
| Durchschnittliche Molmasse | 134,2 g/mol |
| Monoisotopische Masse | 134,04015056 g/mol |
| SMILES | CCOC(=O)CSC |
| InChIKey | MDIAKIHKBBNYHF-UHFFFAOYSA-N |
| PubChem CID | 78199 |
| ChEBI | CHEBI:173553 |
| EC No. | 224-700-2 |
| DTXSID | DTXSID40196219 |
| Lokaler Name | Ethyl-(methylthio)acetat |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 72,8 |
| SpringerMaterials Properties | Chemical shift |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.038-1.0431.043 g/mL at 25 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | very slightlyvery slightly soluble in watersoluble in alcohols and oils(in ethanol)Miscible with alcohol. Immiscible with water. |
| Siedepunkt | 70.00 to 72.00 °C. @ 12.00 mm Hg70-72 °C (25 mm Hg)70-72 °C/25 mmHg (lit.) |
| Brechungsindex | 1.454-1.462n20/D 1.459(lit.) |
| Physical Description | colourless liquid with a fruity odour |
| FEMA | 3835 | ETHYL 2-(METHYLTHIO)ACETATE |
| Flammpunkt | 139 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | colorless |
| Geruch | at 0.10 % in dipropylene glycol. sulfurous green fruity tropical |
| Geruchsart | fruity |
| Biologische Quelle | synthetic |
| JECFA Number | 475 |
| BRN | 1744999 |
| InChI | 1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3 |
| InChIKey | MDIAKIHKBBNYHF-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CSC |
| LogP (Verteilungskoeffizient) | 1.35 |
| CAS Datenbank | 4455-13-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (99.3%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 137 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, (methylthio)-, ethyl esterAcetic acid, (methylthio)-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (99.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3272 3/PG 3 |
| Zollcode | 29309090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Occurrence
Reported found in melon, apple, pineapple, durian, yellow passion fruit and kiwifruit.
Verwenden
Ethyl (methylthio)acetate is used as an internal standard during the analytical determination of volatile sulfur compounds in port wines. Further, it is used as food flavors.