Basic information
- CAS
625-80-9- Standard SMILES
CC(C)SC(C)C- InChIKey
XYWDPYKBIRQXQS-UHFFFAOYSA-N- Molecular formula
- C6H14S
- Average molar mass
- 118.24 g/mol
- Monoisotopic mass
- 118.08162145
Overview
Diisopropyl sulfide is an aliphatic sulfide.
Names & identifiers
- Preferred name
- Diisopropyl sulfide
- IUPAC
- 2-propan-2-ylsulfanylpropane
- English name
- 2,2'-Thiobispropane
- Molecular formula
- C6H14S
- Molecular weight
- 118.24
Names & synonyms
Diisopropyl sulfide625-80-9Propane, 2,2'-thiobis-Isopropyl sulphide2,2'-thiodipropane2,2'-Thiobispropane2-(propan-2-ylsulfanyl)propaneEINECS 210-911-7NSC 75121(i-C3H7)2SDTXSID0060808RefChem:134074
Show more names
methylethyldiisopropylsulfane-thiodipropane-ThiobispropaneDiemthylsulfoether
DTXCID7043376InChI=1/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4HXYWDPYKBIRQXQS-UHFFFAOYSA-NIsopropyl sulfide2,2-Thiobispropane2,4-DIMETHYL-3-THIAPENTANEDiisopropyl sulphide2-propan-2-ylsulfanylpropane
Database identifiers
- CAS
625-80-9- PubChem CID
- 12264
- DTXSID
DTXSID0060808- ChEBI
CHEBI:169455- UNII
- FJW5HJJ2ZJ
- EC Number
- 210-911-7
- Nikkaji
- J43.414K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 33.4
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
LogP
2.84
2.84
Flavoring AgentsEU Flavoring substances
Boiling Point120.00 to 122.00 °C. @ 760.00 mm Hg
Melting Point-78.1 °C
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- -102.7 °C · -102.7°C
- Boiling point
- 120 °C763 · 120 °C763 mm Hg(lit.)
- Density
- 0.814 g/mL · 0.814 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4379(lit.)
- FLAVIS Number
- 12.016 · 12.016 | Di-isopropyl sulfide
- Flash point
- 45 °F · 45 °F
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
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Propane, 2,2'-thiobis-
Propane, 2,2'-thiobis-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 2
- hs_code
- 2930.90.9250
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing InformationPropane, 2,2'-thiobis-: INACTIVE
Applications
UsesUsed as a flavoring agents and intermediate for organic synthesis.
Suppliers65 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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
Related reactions
4 records
Compound notes
Loading…