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3-(Methylthio)propyl acetate
FEMA 3883 · methionyl acetate · Einecs 240-679-2 · methionol acetate · 3-MEHTYLTHIO PROPYL ACETATE · 3-(METHYLTHIO)PROPYL ACETATE · 3-Methylthiopropanol acetate · 3-ACETOXYPROPYL METHYL SULFIDE
Identifikatoren & physikalische Daten
| CAS No. | 16630-55-0 |
|---|---|
| Summenformel | C6H12O2S |
| Durchschnittliche Molmasse | 148,23 g/mol |
| Monoisotopische Masse | 148,05580062 g/mol |
| SMILES | CSCCCOC(C)=O |
| InChIKey | LPZQTNIAYMRVMF-UHFFFAOYSA-N |
| PubChem CID | 85519 |
| ChEBI | CHEBI:87281 |
| EC No. | 240-679-2 |
| DTXSID | DTXSID90168087 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 83,1 |
| Duftstoffe | Fragrance Ingredient (3-(Methylthio)propyl acetate) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.036-1.0441.041 g/cm3 |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | very slightlyvery slightly soluble in watersoluble in alcohol and oils(in ethanol) |
| Siedepunkt | 201.00 to 202.00 °C. @ 760.00 mm Hg201-202 °C96°C/14mmHg(lit.) |
| Brechungsindex | 1.461-1.4671.4610-1.4650 |
| Physical Description | colourless liquid with fatty, estery odour |
| FEMA | 3883 | 3-(METHYLTHIO)PROPYL ACETATE |
| Lagerbedingungen | 2-8°C, stored under nitrogen |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Geruch | at 0.10 % in propylene glycol. herbal mushroom cabbage asparagus potato cheesy |
| Geruchsart | sulfurous |
| JECFA Number | 478 |
| InChI | InChI=1S/C6H12O2S/c1-6(7)8-4-3-5-9-2/h3-5H2,1-2H3 |
| InChIKey | LPZQTNIAYMRVMF-UHFFFAOYSA-N |
| SMILES | C(OC(=O)C)CCSC |
| LogP (Verteilungskoeffizient) | 1.30 |
| NIST chemische Informationen | 1-Propanol, 3-(methylthio)-, acetate(16630-55-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 98.3% (115 of 117) of all reports.Not ClassifiedAggregated GHS information provided per 117 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Propanol, 3-(methylthio)-, acetate1-Propanol, 3-(methylthio)-, acetate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| Zollcode | 2930909899 |
Anwendungen & Verwendung
Occurrence
Reported found in apple, melon, pineappple, beer, malt whiskey and white wine.
Verwenden
3-(Methylthio)propyl Acetate is liquid cleaning compound with optimized scent. Also, is perfume compound comprising fragrance modulator compounds and 1-Aza-3,7-dioxabicyclo[3.3.0]octane compounds for increasing and prolonging the intensity of fragrance.