2,5-Dithiahexane
Basic information
- CAS
6628-18-8- Standard SMILES
CSCCSC- InChIKey
UJTDKNZVLGVLFT-UHFFFAOYSA-N- Molecular formula
- C4H10S2
- Average molar mass
- 122.3 g/mol
- Monoisotopic mass
- 122.02239267
Overview
1,2-Bis(methylthio)ethane is an aliphatic sulfide.
Names & identifiers
- Preferred name
- 2,5-Dithiahexane
- IUPAC
- 1,2-bis(methylsulfanyl)ethane
- English name
- Ethylenebis(methyl sulfide)
- Molecular formula
- C4H10S2
- Molecular weight
- 122.25
Names & synonyms
2,5-Dithiahexane1,2-Bis(methylthio)ethane1,2-Bis(methylsulfanyl)ethane6628-18-81,2-BIS(METHYLMERCAPTO)ETHANEEthane, 1,2-bis(methylthio)-CH3SCH2CH2SCH3UNII-D37463NMIRD37463NMIRNSC 60544NSC-60544BIS(METHYLTHIO)ETHANE
Show more names
Ethylenebis(methyl sulfide)
DTXSID9064427FEMA NO. 42982,5-DITHIAHEXANE [FHFI]RefChem:83000DTXCID0044783Ethane, 1,2-bis(methylthio)-(9CI)UJTDKNZVLGVLFT-UHFFFAOYSA-N1,2-Bis(methylthio)-Ethane
Database identifiers
- CAS
6628-18-8- PubChem CID
- 23110
- DTXSID
DTXSID9064427- ChEBI
CHEBI:179052- UNII
- D37463NMIR
- EC Number
- 801-653-1
- Nikkaji
- J101.104I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 17.5
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.039-1.049
Solubility
Insoluble in water; soluble in non-polar solvents
Soluble (in ethanol)
Boiling Point
178.00 to 180.00 °C. @ 760.00 mm Hg
178-179 °C
Refractive Index1.526-1.533
Physical DescriptionClear, colourless or pale yellow liquid; Dairy aroma with sulfureous note
Physicochemical properties
- Melting point
- -101.52 °C · -101.52°C (estimate)
- Boiling point
- 178.5 °C · 178.5°C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 90.4% (104 of 115) of all reports.
Not Classified
Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H226
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
Additional notes
DefinitionChEBI: 1,2-Bis(methylthio)ethane is an aliphatic sulfide.
Suppliers
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Related reactions
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Compound notes
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