3-(Methylthio)propanol
3-(Methylthio)-1-propanol
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Grundinformationen
- CAS
505-10-2- Standard-SMILES
CSCCCO- InChIKey
CZUGFKJYCPYHHV-UHFFFAOYSA-N- Summenformel
- C4H10OS
- Durchschnittliche Molmasse
- 106,19 g/mol
- Monoisotopische Masse
- 106,04523594
Überblick
3-methylthiopropanol is an alkyl sulfide that is propan-1-ol substituted by a methylsulfanyl group at position 3. It is a volatile compound found in wines and produced during fermentation. It has a role as a Saccharomyces cerevisiae metabolite. It is an aliphatic sulfide and a methyl sulfide. It is functionally related to a propan-1-ol.
Namen und Bezeichner
- Bevorzugter Name
- 3-(Methylthio)-1-propanol
- IUPAC
- 3-methylsulfanylpropan-1-ol
- Lokaler Name
- 3-(Methylthio)propanol
- Englischer Name
- 3-Methylthiopropanol
- Summenformel
- C4H10OS
- Molmasse
- 106.19
Namen und Synonyme
Methionol505-10-23-(Methylthio)-1-propanol3-(METHYLTHIO)PROPANOL1-Propanol, 3-(methylthio)-3-Hydroxypropyl methyl sulfide3-Methylmercapto-1-propanolgamma-Methylmercaptopropyl alcoholFEMA No. 3415H1E1U441XXNSC-2859DTXSID7060128
Weitere Namen anzeigen
3-(methylsulfanyl)propanolFEMA 34153-Methionol3-Methylthio-1-propanol>=98.0%MethinolMethionol>
RefChem:811746DTXCID4040846208-004-63-methylthiopropanol3-(methylthio)propan-1-ol3-(methylsulfanyl)propan-1-ol3-Methylthio-1-propanol3-methylsulfanylpropan-1-ol
Datenbank-Bezeichner
- CAS
505-10-2- PubChem CID
- 10448
- DTXSID
DTXSID7060128- ChEMBL
CHEMBL332887
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 45,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 23,5
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (3-(Methylthio)propanol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.027-1.033
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; soluble in alcohol, propylene glycol and oils
(in ethanol)
Boiling Point
89.00 to 90.00 °C. @ 13.00 mm Hg
195 °C; 93-94 °C (17mm Hg)
Refractive Index1.483-1.493
Physical Descriptionpale yellowish, mobile liquid; powerful sweet, soup or meat-like odour
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 48.2% (81 of 168) of reports.
Warning
H315 (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.
Gefahrenhinweise
Regulatory Information
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 CategoriesSkin Irrit. 2 (51.8%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3334
- hs_code
- 29309090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-24/25-36/37/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1-Propanol, 3-(methylthio)-: ACTIVE
Anwendungen
Beschreibung3-(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.
OccurrenceReported 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
Verwenden3-Methylthiopropanol is used in the meat essence composition.It is also used in meat, potato, and cheese flavorings.
Darstellung
synthetischeFrom propylene chlorhydrin and sodium hydrosulfide
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
42
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