Basic information
- CAS
558466-07-2- Standard SMILES
CS(=O)(=O)CCCCCO- InChIKey
GYWGTIUZWRJGPS-UHFFFAOYSA-N- Molecular formula
- C6H14O3S
- Average molar mass
- 166.24 g/mol
Names & identifiers
- Preferred name
- 5-Methanesulfonylpentan-1-ol
- IUPAC
- 5-methylsulfonylpentan-1-ol
Names & synonyms
5-methanesulfonylpentan-1-ol558466-07-2RefChem:536541844-818-35-(methylsulfonyl)-1-pentanol5-methylsulfonylpentan-1-ol5-(Methylsulfonyl)pentan-1-olSCHEMBL4814108SCHEMBL14892607GYWGTIUZWRJGPS-UHFFFAOYSA-NIXA46607AKOS011635828
Show more names
CS-0235873EN300-1637757
Database identifiers
- CAS
558466-07-2- PubChem CID
- 23028699
- EC Number
- 844-818-3
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 154
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
2 records
Compound notes
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