Basic information
- CAS
5271-38-5- Standard SMILES
CSCCO- InChIKey
WBBPRCNXBQTYLF-UHFFFAOYSA-N- Molecular formula
- C3H8OS
- Average molar mass
- 92.16 g/mol
- Monoisotopic mass
- 92.02958588
Overview
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.
Names & identifiers
- Preferred name
- 2-(Methylthio)ethanol
- IUPAC
- 2-methylsulfanylethanol
- English name
- 2-(METHYLTHIO)ETHANOL
- Molecular formula
- C3H8OS
- Molecular weight
- 92.16
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
5271-38-5- PubChem CID
- 78925
- DTXSID
DTXSID90200678- ChEMBL
CHEMBL277871
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 16.4
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.055-1.065 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in non-polar solvents
soluble (in ethanol)
Boiling Point
169.00 to 171.00 °C. @ 760.00 mm Hg
169-171 °C
Refractive Index1.490-1.498
Physical Descriptioncolourless to pale yellow liquid; powerful meat-like aroma
Physicochemical properties
- Boiling point
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Regulatory Information
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
Safety data
- F
- 13
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- ridadr
- 2810
- hs_code
- 29309090
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25-36/37/39
- hazard_class
- 6.1
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H227-H302-H332
- Precautionary statements
- P210e-P261-P280a-P301+P312a-P304+P340-P501a
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
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
Applications
OccurrenceReportedly present in melon, tomato, durian (Durio zibethinus) and shrimp (cooked, roasted)
Uses2-(Methylthio)ethanol is used as an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.
General DescriptionThe transient absorption spectrum formed on reaction of H atoms and OH radicals with an aqueous solution of 2-(methylthio)ethanol was studied.
Upstream & downstream products
Upstream raw materials
Related reactions
67 records
Compound notes
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