Basic information
- CAS
63986-03-8- Standard SMILES
CCCCSSCC- InChIKey
QEYJAENSRLNDFW-UHFFFAOYSA-N- Molecular formula
- C6H14S2
- Average molar mass
- 150.3 g/mol
- Monoisotopic mass
- 150.05369279
Overview
Butyl ethyl disulfide is an organic disulfide.
Names & identifiers
- Preferred name
- Butyl ethyl disulfide
- IUPAC
- 1-(ethyldisulfanyl)butane
- English name
- BUTYL ETHYL DISULPHIDE
- Molecular formula
- C6H14S2
- Molecular weight
- 150.31
Names & synonyms
Butyl ethyl disulfide1-(Ethyldisulfanyl)butane63986-03-8Disulfide, butyl ethyl1-ethyldisulfanylbutaneEthyl n-butyl disulfideEthyl n-butyl disulphideUNII-547878JR6J3,4-Dithiaoctane547878JR6JN-BUTYL ETHYL DISULFIDE1-ETHYLDISULFANYL-BUTANE
Show more names
ButylethyldisulfideBUTYL ETHYL DISULPHIDEBUTYL ETHYL DISULPHIDE USP/EP/BP
FEMA NO. 4027DTXSID50213901BUTYL ETHYL DISULFIDE [FHFI]RefChem:122248DTXCID40136392QEYJAENSRLNDFW-UHFFFAOYSA-Nethyl butyl disulfideN-butyl ethyl disulfane
Database identifiers
- CAS
63986-03-8- PubChem CID
- 522111
- DTXSID
DTXSID50213901- ChEBI
CHEBI:173639- UNII
- 547878JR6J
- Nikkaji
- J543.237E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 37.5
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.954-0.964 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in non-polar solvents; insoluble in water
Soluble (in ethanol)
Boiling Point198-202 °C
Refractive Index1.492-1.502
Physical DescriptionClear, colourless or pale yellow liquid; Sulfureous aroma
Physicochemical properties
- Melting point
- -77.24 °C · -77.24°C (estimate)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
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
Applications
OccurrenceReportedly present in Durian (Durio zibethinus).
Suppliers3 total
BOC Sciences[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Additional notes
DefinitionChEBI: Butyl ethyl disulfide is an organic disulfide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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