Isopentyl sulfoxide
Basic information
- CAS
7726-23-0- Standard SMILES
CC(C)CCS(=O)CCC(C)C- InChIKey
WXYDKGMJJFFORR-UHFFFAOYSA-N- Molecular formula
- C10H22OS
- Average molar mass
- 190.35 g/mol
- Monoisotopic mass
- 190.13913649
Names & identifiers
- Preferred name
- Isopentyl sulfoxide
- IUPAC
- 3-methyl-1-(3-methylbutylsulfinyl)butane
- English name
- 1,1'-sulphinylbis[3-methylbutane]
- Molecular formula
- C10H22OS
- Molecular weight
- 190.35
Names & synonyms
Diisopentyl sulfoxideIsoamyl sulfoxideISOPENTYL SULFOXIDEDi-iso-amyl sulfoxideSulfoxide, diisopentylSulfoxide, di-iso-amylDiisoamyl sulphoxideEINECS 231-775-5Butane, 1,1'-sulfinylbis(3-methyl-NSC 163969BRN 17546471,1'-Sulphinylbis(3-methylbutane)
Show more names
Bis(3-methylbutyl) sulfoxideButane, 3-methyl-1-[(3-methylbutyl)sulfinyl]-
1,1'-SULPHINYLBIS[3-METHYLBUTANE]DTXSID802279952-01-00-00435 (Beilstein Handbook Reference)Sulfoxide, diisoamylRefChem:7920461,1'Sulphinylbis(3methylbutane)DTXCID30150486Butane, 1,1'sulfinylbis(3methyl
Database identifiers
- CAS
7726-23-0- PubChem CID
- 24407
- DTXSID
DTXSID80227995- EC Number
- 231-775-5
- Nikkaji
- J41.098E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazards SummaryIntravenous LD50 (mouse) = 56 mg/kg; [RTECS] 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
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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