HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(Methylthio)propanol
1-Propanol, 3-(methylthio)- · METHIONOL · 3-(METHYLTHIO)-1-PROPANOL · 3-(METHYLTHIO)PROPAN-1-OL · 3-(methylsulfanyl)propanol · FEMA 3415 · 3-Methionol · 3-Methylthio-1-propanol>=98.0%
Identifikatoren & physikalische Daten
| CAS No. | 505-10-2 |
|---|---|
| Summenformel | C4H10OS |
| Durchschnittliche Molmasse | 106,19 g/mol |
| Monoisotopische Masse | 106,04523594 g/mol |
| SMILES | CSCCCO |
| InChIKey | CZUGFKJYCPYHHV-UHFFFAOYSA-N |
| PubChem CID | 10448 |
| ChEMBL | CHEMBL332887 |
| ChEBI | CHEBI:49019 |
| EC No. | 208-004-6 |
| DTXSID | DTXSID7060128 |
| Lokaler Name | 3-(Methylthio)propanol |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 23,5 |
| Duftstoffe | Fragrance Ingredient (3-(Methylthio)propanol) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.027-1.0331.03 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | slightly soluble in watersoluble in alcohol, propylene glycol and oils(in ethanol)Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Siedepunkt | 89.00 to 90.00 °C. @ 13.00 mm Hg195 °C93-94 °C (17mm Hg)89-90 °C13 mm Hg(lit.) |
| Brechungsindex | 1.483-1.493n20/D 1.49(lit.) |
| Physical Description | pale yellowish, mobile liquidpowerful sweet, soup or meat-like odour |
| Schmelzpunkt | -100°C (estimate) |
| FEMA | 3415 | 3-(METHYLTHIO)PROPANOL |
| Flammpunkt | 195 °F |
| Lagerbedingungen | Sealed in dry,2-8°C |
| pKa (Säurekonstante) | 14.87±0.10(Predicted) |
| Aggregatzustand | liquid (estimate) |
| Wichte | 1.03 |
| Farbe | Clear Colorless to Light Yellow |
| Geruch | at 0.10 % in propylene glycol. sulfurous onion sweet soup vegetable |
| Geruchsart | meaty |
| Biologische Quelle | synthetic |
| JECFA Number | 461 |
| InChI | 1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3 |
| InChIKey | CZUGFKJYCPYHHV-UHFFFAOYSA-N |
| SMILES | CSCCCO |
| LogP (Verteilungskoeffizient) | 0.40 |
| CAS Datenbank | 505-10-2(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Propanol, 3-(methylthio)-(505-10-2) |
| EPA chemische Informationen | Methionol (505-10-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 48.2% (81 of 168) of reports.WarningH315 (51.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 168 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Propanol, 3-(methylthio)-Regulation (EC) No 1831/2003 (amended)1-Propanol, 3-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (51.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3334 |
| Zollcode | 29309090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-24/25-36/37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
3-(Methylthio)propanol has a powerful sweet soup or meat-like odor and flavor in high dilution. May be prepared from propylene chlorhydrin and sodium hydrosulfide.
Occurrence
Reported found in fermented soy sauce, tomatoes, grape wines, apple, melon, pineapple, asparagus, rye bread, cheeses, cured pork, beer, cognac, malt whiskey, cider, sherry, coffee, litchi, shrimp and apple brandy
Verwenden
3-Methylthiopropanol is used in the meat essence composition.It is also used in meat, potato, and cheese flavorings.
Herstellung & Synthese
synthetische
From propylene chlorhydrin and sodium hydrosulfide