HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 85520Erstellt: 3. November 2026
Methionyl butyrate
METHIONYLBUTYRATE · 3-(methylthio)propyl butyrate · 3-(Methylsulfanyl)propyl butanoate · Butanoic acid 3-(methylthio)propyl ester
https://huagongshe.com/de/chemical/85520
Identifikatoren & physikalische Daten
| CAS No. | 16630-60-7 |
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| Summenformel | C8H16O2S |
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| Durchschnittliche Molmasse | 176,28 g/mol |
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| Monoisotopische Masse | 176,08710092 g/mol |
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| SMILES | CCCC(=O)OCCCSC |
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| InChIKey | HSCZLQOPSGMKTK-UHFFFAOYSA-N |
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| PubChem CID | 85520 |
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| ChEBI | CHEBI:191929 |
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| EC No. | 240-680-8 |
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| DTXSID | DTXSID50168088 |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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| Polarare Oberfläche (TPSA) | 51,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 7 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 104 |
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| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| Dichte | 0.995-1.0010.990±0.06 g/cm3 (20 ºC 760 Torr) |
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| Aromastoffe | EU Flavoring substances |
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| Löslichkeit | Practically insoluble to insoluble in waterSoluble (in ethanol) |
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| Siedepunkt | 232.00 °C. @ 760.00 mm Hg232 °C244.4±23.0℃ |
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| Brechungsindex | 1.458-1.4631.458 (589.3 nm 20℃) |
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| Physical Description | Colourless liquidCabbage/sewer odour |
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| FEMA | 4160 | METHIONYL BUTYRATE |
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| Flammpunkt | 102.3±10.6℃ |
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| Geruch | at 0.10 % in propylene glycol. fruity pineapple mushroom cheesy |
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| Geruchsart | sulfurous |
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| JECFA Number | 1668 |
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| LogP (Verteilungskoeffizient) | 2.36 |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 87.1% (81 of 93) of all reports.WarningH315 (12.9%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 93 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: Butanoic acid, 3-(methylthio)propyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012) |
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| Hazard Classes and Categories | Skin Irrit. 2 (12.9%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
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