Basic information
- CAS
3085-40-3- Standard SMILES
CC(C)CS(=O)CC(C)C- InChIKey
MCDJZKPTBCWNSJ-UHFFFAOYSA-N- Molecular formula
- C8H18OS
- Average molar mass
- 162.3 g/mol
- Monoisotopic mass
- 162.10783637
Names & identifiers
- Preferred name
- Isobutyl sulfoxide
- IUPAC
- 2-methyl-1-(2-methylpropylsulfinyl)propane
- English name
- Diisobutyl sulfoxide
- Molecular formula
- C8H18OS
- Molecular weight
- 162.29
Names & synonyms
Diisobutyl sulfoxide3085-40-3ISOBUTYL SULFOXIDEDiisobutyl sulfoxidDiisobutyl sulfoxid [German]Propane, 1,1'-sulfinylbis(2-methyl-BRN 1747354DTXSID70184861RefChem:791640DTXCID10107352Propane, 1,1'sulfinylbis(2methyl669-086-0
Show more names
1-isobutylsulfinyl-2-methyl-propane
2-methyl-1-(2-methylpropylsulfinyl)propane1-(isobutylsulfinyl)-2-methylpropanePropane, 2-methyl-1-[(2-methylpropyl)sulfinyl]-diisobutylsulfoxidSCHEMBL231002AKOS0243376202-Methyl-1-(2-methylpropane-1-sulfinyl)propane
Database identifiers
- CAS
3085-40-3- PubChem CID
- 18328
- DTXSID
DTXSID70184861- EC Number
- 669-086-0
- Nikkaji
- J109.988D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.8
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazards Summary
Causes dyspnea in intraperitoneal lethal-dose studies of rats (LD50 = 800 mg/kg); [RTECS] May cause irritation; May cause skin sensitization, based on QSAR modeling; [Sigma-Aldrich MSDS] Search for (3085-40-3[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results; [PubMed] See Dimethyl sulfoxide.
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers10 total
三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
Henan Allgreen Chemical Co.,LTD+86-37155567971 +86-13633837469 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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