2-(Methylthio)ethanol

HCID 78925CAS 5271-38-5
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CSCCO
InChIKey
WBBPRCNXBQTYLF-UHFFFAOYSA-N
Summenformel
C3H8OS
Durchschnittliche Molmasse
92,16 g/mol
Monoisotopische Masse
92,02958588

Überblick

2-methylthioethanol is a primary alcohol that is the S-methyl derivative of mercaptoethanol. It is found as a volatile component in Cucumis melo Var. cantalupensis. It has a role as a xenobiotic metabolite and a plant metabolite. It is a primary alcohol and an aliphatic sulfide. It is functionally related to a mercaptoethanol.

Namen und Bezeichner

Bevorzugter Name
2-(Methylthio)ethanol
IUPAC
2-methylsulfanylethanol
Lokaler Name
2-(Methylthio)ethanol
Englischer Name
2-(METHYLTHIO)ETHANOL
Summenformel
C3H8OS
Molmasse
92.16

Namen und Synonyme

2-(Methylthio)ethanol5271-38-5Ethanol, 2-(methylthio)-2-methylthioethanolMethylthioethanol2-Methylmercaptoethanol2-Hydroxyethyl methyl sulfide2-(Methylsulfanyl)ethanol2-(methylsulfanyl)ethan-1-olMethyl 2-hydroxyethyl sulfideHydroxyethyl methyl sulfideS-Methylmercaptoethanol
Weitere Namen anzeigen
2-(METHYLMERCAPTO)ETHANOL2-HydroxyethylmethylsulphideFEMA 40042-MethyIthioethanol2-(methylthio)-ethanoEthanol,2-(methylthio)-
beta-Methylmercaptoethanolbeta-Hydroxyethyl methyl sulfide1-Hydroxy-2-(methylthio)-ethanebeta-(Methylthio)ethanol5K6TOE95UYNSC-1902FEMA NO. 4004CHEBI:63861

Datenbank-Bezeichner

CAS
5271-38-5
PubChem CID
78925
DTXSID
DTXSID90200678
ChEMBL
CHEMBL277871
ChEBI
CHEBI:63861
UNII
5K6TOE95UY
EC Number
226-090-3
Nikkaji
J25.044I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,2
Polarare Oberfläche (TPSA)
45,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
5

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesCoriolis coupling
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.055-1.065 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility · 2 Einträge

Insoluble in water; soluble in non-polar solvents

soluble (in ethanol)

Boiling Point · 2 Einträge

169.00 to 171.00 °C. @ 760.00 mm Hg

169-171 °C

Physikochemische Eigenschaften

Siedepunkt
169 · 169-171 °C(lit.)
Dichte
1.06 g/mL · 1.06 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.4930(lit.)
FEMA
4004 · 4004 | 2-(METHYLTHIO)ETHANOL
Flammpunkt
158 °F · 158 °F
storage temp.
30 °C · Store below +30°C.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 91.9% (91 of 99) of all reports.

Not Classified

Aggregated GHS information provided per 99 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Ethanol, 2-(methylthio)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Ethanol, 2-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

F
13
wgk
3
ridadr
2810
hs_code
29309090
risk_code
20/21/22
safety_code
23-24/25-36/37/39

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 5 Einträge

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

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Anwendungen

OccurrenceReportedly present in melon, tomato, durian (Durio zibethinus) and shrimp (cooked, roasted)

Verwenden2-(Methylthio)ethanol is used as an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A primary alcohol that is the S-methyl derivative of mercaptoethanol. It is found as a volatile component in Cucumis melo Var. cantalupensis.

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