1,1'-Sulfinylbis(propane)
Basic information
- CAS
4253-91-2- Standard SMILES
CCCS(=O)CCC- InChIKey
BQCCJWMQESHLIT-UHFFFAOYSA-N- Molecular formula
- C6H14OS
- Average molar mass
- 134.24 g/mol
- Monoisotopic mass
- 134.07653607
Overview
RN given in first source
Names & identifiers
- Preferred name
- 1,1'-Sulfinylbis(propane)
- IUPAC
- 1-propylsulfinylpropane
- English name
- N-PROPYL SULFOXIDE
- Molecular formula
- C6H14OS
- Molecular weight
- 134.24
Names & synonyms
Dipropyl sulfoxide4253-91-2Propyl sulfoxideDi-n-PropylsulfoxidePROPANE, 1,1'-SULFINYLBIS-1,1'-Sulfinylbis[propane]7PA43X9GMLNSC-75838DTXSID801953221,1'-SULFINYLBIS(PROPANE)RefChem:134850DTXCID90117813
Show more names
(n-C3H7)2SOsulfoxide,dipropyldi-n-propylsulfoxidDipropyl sulphoxideDi-n-propyl sulfoxid
224-227-1n-Propyl sulfoxideN-PROPYLSULFOXIDEDi-n-propyl sulphoxideSulfoxide, dipropyl1-propylsulfinylpropaneDi-n-propyl sulfoxide1,1'-Sulphinylbispropane
Database identifiers
- CAS
4253-91-2- PubChem CID
- 20252
- DTXSID
DTXSID80195322- UNII
- 7PA43X9GML
- EC Number
- 224-227-1
- Nikkaji
- J43.418C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 62.9
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 22.5 °C · 22.5°C
- Boiling point
- 237.5 °C · 237.5°C (estimate)
- Density
- 0.9654 · 0.9654
- refractive index
- 1.4656 · 1.4656-1.4676
- form
- liquid
- Surface tension
- 32.6 mN/m · 32.6mN/m at 298.15K
- CAS DataBase Reference
- 4253 · 4253-91-2
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 PA43X9GML · 7PA43X9GML
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 334 · H334
- Precautionary statements
- 261 · P261-P285-P304+P341-P342+P311-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
Danger
H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
P233, P260, P271, P284, P304+P340, P342+P316, P403, 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
Hazard Classes and CategoriesResp. Sens. 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- safety_code
- 24/25
- Hazard statements
- H334
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P501
Suppliers
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Related reactions
1 records
Compound notes
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