Butyl ethyl sulfone
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Basic information
- CAS
31124-38-6- Standard SMILES
CCCCS(=O)(=O)CC- InChIKey
PVSJGAIWOIMZFG-UHFFFAOYSA-N- Molecular formula
- C6H14O2S
- Average molar mass
- 150.24 g/mol
- Monoisotopic mass
- 150.07145086
Names & identifiers
- Preferred name
- Butyl ethyl sulfone
- IUPAC
- 1-ethylsulfonylbutane
- English name
- Butylethyl sulfone
- Molecular formula
- C6H14O2S
- Molecular weight
- 150.24
Names & synonyms
Butyl ethyl sulfoneSulfone, butyl ethylButane, 1-(ethylsulfonyl)-DTXSID20334374RefChem:331043DTXCID30285464668-889-3PVSJGAIWOIMZFG-UHFFFAOYSA-N1-(ethanesulfonyl)butane31124-38-61-(Ethylsulfonyl)butane #SCHEMBL146005
Show more names
Butylethyl sulfone
SCHEMBL146627SCHEMBL552729SCHEMBL1678418SCHEMBL1678566AKOS024337840
Database identifiers
- CAS
31124-38-6- PubChem CID
- 520509
- DTXSID
DTXSID20334374- EC Number
- 668-889-3
- Nikkaji
- J99.997K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 50 · 50-51 °C
- Boiling point
- 266 · 266.0±8.0 °C(Predicted)
- Density
- 1.01 · 1.010±0.06 g/cm3(Predicted)
- 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
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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