Basic information
- CAS
2051-04-9- Standard SMILES
CC(C)CCSSCCC(C)C- InChIKey
MPYGLNNTOXLWOB-UHFFFAOYSA-N- Molecular formula
- C10H22S2
- Average molar mass
- 206.4 g/mol
- Monoisotopic mass
- 206.11629305
Overview
diisoamyl disulfide has been reported in Mephitis mephitis with data available.
Names & identifiers
- Preferred name
- Diisoamyl disulfide
- IUPAC
- 3-methyl-1-(3-methylbutyldisulfanyl)butane
- English name
- DIISOAMYL DISULFIDE
- Molecular formula
- C10H22S2
- Molecular weight
- 206.41
Names & synonyms
Diisoamyl disulfide2051-04-9Isoamyl disulfideBis(3-methylbutyl) disulfideIsopentyl disulfideDISULFIDE, BIS(3-METHYLBUTYL)Diisopentyl disulfide3-methyl-1-(3-methylbutyldisulfanyl)butaneDiisopentyl disulphide2,9-Dimethyl-5,6-dithiadecane7309LNT30NNSC-2362
Show more names
Diisoamyl persulfideDIISOPENTYLDISULFIDEDIISOAMYL DISULPHIDEDiisoamylDisulfide>Di(isoamyl) persulfideDiisopentyl perdisulfide
NSC-677439UNII-7309LNT30NFEMA NO. 45755,6-Dithia-2,9-dimethyldecaneBis(3-methyl-1-butyl) disulfideDTXSID90174507NSC 2362EINECS 218-113-0
Database identifiers
- CAS
2051-04-9- PubChem CID
- 74915
- DTXSID
DTXSID90174507- ChEMBL
CHEMBL120687- UNII
- 7309LNT30N
- EC Number
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 77.8
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.912-0.922 (20 °C)
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point245-247 °C
Refractive Index1.481-1.491
Physical DescriptionClear colourless to pale yellow liquid; Sweet oniony aroma
Physicochemical properties
- Melting point
- -58.99 °C · -58.99°C (estimate)
- Boiling point
- 248 °C · 248 °C
- Density
- 0 · 0,92 g/cm3
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Disulfide, bis(3-methylbutyl)
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- hs_code
- 2930.90.9250
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H317-H334-H341b-H350-H360-H412
- Precautionary statements
- P201-P202-P261-P264b-P270-P272-P280g-P285-P301+P312-P302+P352-P304+P341-P308+P313-P330-P342+P311-P363-P403-P501c
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Applications
Usesflavors and fragrances
Upstream & downstream products
Downstream products
Suppliers48 total
三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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