Basic information
- CAS
4253-89-8- Standard SMILES
CC(C)SSC(C)C- InChIKey
LZAZXBXPKRULLB-UHFFFAOYSA-N- Molecular formula
- C6H14S2
- Average molar mass
- 150.3 g/mol
- Monoisotopic mass
- 150.05369279
Overview
Diisopropyl disulfide is an organic disulfide.
Names & identifiers
- Preferred name
- Diisopropyl disulfide
- IUPAC
- 2-(propan-2-yldisulfanyl)propane
- English name
- Isopropyl disulfide
- Molecular formula
- C6H14S2
- Molecular weight
- 150.31
Names & synonyms
Diisopropyl disulfideIsopropyl disulfide4253-89-8Disulfide, bis(1-methylethyl)Diisopropyl disulphide2-(propan-2-yldisulfanyl)propane2,5-Dimethyl-3,4-dithiahexaneEINECS 224-225-0NSC 75123BP550P623ANSC-75123Isopropyl disulfide (8CI)
Show more names
FEMA 3827(i-C3H7S)2Isopropyl disulISOPROPYLDISULPHIDEDiisopropyi disulfideDiisopropyl persulfideIsopropyl disulfide 96%
DTXSID6022216FEMA NO. 3827DIISOPROPYL DISULFIDE [FHFI]Disulfide, bis(1-methylethyl) (9CI)RefChem:587900DTXCID3022161,2-Diisopropyldisulfane2,2'-dithiodipropane
Database identifiers
- CAS
4253-89-8- PubChem CID
- 77932
- DTXSID
DTXSID6022216- ChEBI
CHEBI:173637- UNII
- BP550P623A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 42.5
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.843-0.847
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
very slightly soluble in water; soluble in alcohols and oils
(in ethanol)
Boiling Point
175.00 to 177.00 °C. @ 760.00 mm Hg
177.2 °C
Melting Point-69 °C
Refractive Index1.441-1.451
Physical Description
Liquid
colourless liquid with a sulfurous, oniony odour
Physicochemical properties
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 InformationDisulfide, bis(1-methylethyl): Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29309090
- risk_code
- 11-36/37/38-52-50
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- safety_code
- 9-16-29-33-36-26-61
- hazard_class
- 3.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H225-H315-H319-H335
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
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
OccurrenceReported found in guava fruit, French fried potato, cooked beef, grape brandy (Weinbrand) and durian (Durio zibethinus).
Usesflavors and fragrances
General DescriptionIsopropyl disulfide is a volatile sulfur compound that is reported to occur in Allium species.
Suppliers100 total
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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北科麦迪化工有限公司18372743325 · [email protected]
武汉欣扬瑞和化学科技有限公司
Related reactions
1 records
Compound notes
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