Octyl sulfoxide
Basic information
- CAS
1986-89-6- Standard SMILES
CCCCCCCCS(=O)CCCCCCCC- InChIKey
VWCFQNQVNVMFGV-UHFFFAOYSA-N- Molecular formula
- C16H34OS
- Average molar mass
- 274.5 g/mol
- Monoisotopic mass
- 274.23303688
Names & identifiers
- Preferred name
- Octyl sulfoxide
- IUPAC
- 1-octylsulfinyloctane
- English name
- Di-n-octyl sulfoxide
- Molecular formula
- C16H34OS
- Molecular weight
- 274.51
Names & synonyms
Di-n-octyl SulfoxideOctyl sulfoxidedioctyl sulfoxide1-(octylsulfinyl)octaneOctane, 1-(octylsulfinyl)-1,1'-SulphinylbisoctaneBL3KXH5FFWUNII-BL3KXH5FFWEINECS 217-861-5NSC-65460Octane, 1,1'-sulfinylbis-BIS(1-OCTYL) SULFOXIDE
Show more names
N-OCTYL SULFOXIDEDi-n-octylSulfoxide>1,1'-Sulfinyldi(octane)1-(OCTANE-1-SULFINYL)-OCTANE
DTXSID30173615NSC 65460RefChem:167897DTXCID40961061986-89-6di-n-octylsulfoxide1-octylsulfinyloctane1-(octane-1-sulfinyl)octane
Database identifiers
- CAS
1986-89-6- PubChem CID
- 74805
- DTXSID
DTXSID30173615- ChEMBL
CHEMBL2398219- UNII
- BL3KXH5FFW
- EC Number
- 217-861-5
- Nikkaji
- J199.803J
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- Melting point
- 71 °C · 71 °C
- Boiling point
- 399.9 · 399.9±11.0 °C(Predicted)
- Density
- 0.908 · 0.908±0.06 g/cm3(Predicted)
- solubility
- soluble in dichloromethane
- form
- powder to crystal
- color
- White to Almost white
- FDA UNII
- 3 KXH5FFW · BL3KXH5FFW
- HS Code
- 2930.9 · 2930.90.9250
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2930.90.9250
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…