3-(Methylthio)-1-propanol (HCID 10448)

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
ChEBI: CHEBI:49019
UNII: H1E1U441XX
EC Number: 208-004-6
Nikkaji: J97.164B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 45,5 Å²
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 · 2 Einträge

slightly soluble in water; soluble in alcohol, propylene glycol and oils

(in ethanol)

Boiling Point · 2 Einträge

89.00 to 90.00 °C. @ 13.00 mm Hg

195 °C; 93-94 °C (17mm Hg)

Physikochemische Eigenschaften

Schmelzpunkt: -100 °C · -100°C (estimate)
Siedepunkt: 89 · 89-90 °C13 mm Hg(lit.)
Dichte: 1.03 g/mL · 1.03 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.49(lit.)
FEMA: 3415 · 3415 | 3-(METHYLTHIO)PROPANOL
Flammpunkt: 195 °F · 195 °F
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka: 14.87 · 14.87±0.10(Predicted)
Aggregatzustand: liquid (estimate)
Wichte: 1.03 · 1.03
Farbe: Clear Colorless to Light Yellow
Geruch (Odor): 0.1 % · at 0.10 % in propylene glycol. sulfurous onion sweet soup vegetable
Geruchsart: meaty
Biologische Quelle: synthetic
JECFA Number: 461 · 461
InChI: 1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
InChIKey: CZUGFKJYCPYHHV-UHFFFAOYSA-N
SMILES: CSCCCO
LogP: 0.4 · 0.40
CAS Datenbank: 505 · 505-10-2(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Propanol, 3-(methylthio)-(505-10-2)
EPA chemische Informationen: Methionol (505-10-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 3 Einträge

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 · 5 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information1-Propanol, 3-(methylthio)-: ACTIVE

Anwendungen · 3 Einträge

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

Nachgelagerte Produkte

3-(Methylthio)propionaldehyd METHYL-(3-HYDROXYPROPYL) SULFONE

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 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.