Basic information
- CAS
16066-21-0- Standard SMILES
CC(C)CCS(=O)(=O)O- InChIKey
HYZYOKHLDUXUQK-UHFFFAOYSA-N- Molecular formula
- C5H12O3S
- Average molar mass
- 152.21 g/mol
- Monoisotopic mass
- 152.05071541
Names & identifiers
- Preferred name
- 3-Methyl-1-butanesulfonic acid
- IUPAC
- 3-methylbutane-1-sulfonic acid
Names & synonyms
3-Methyl-1-butanesulfonic acidNSC 45316066-21-05343-41-9DTXSID00201595RefChem:94696DTXCID301240863-methylbutane-1-sulfonic acidNSC4531-Butanesulfonic acid, 3-methyl-, sodium saltNSC-453isoamylsulfonic acid
Show more names
RP5GUS47MKSCHEMBL329793SCHEMBL329794SCHEMBL701452SCHEMBL3724858SCHEMBL4917489SCHEMBL115762203-Methylbutane-1-sulfonic acid, AldrichCPR
Database identifiers
- CAS
16066-21-0、5343-41-9- PubChem CID
- 406989
- DTXSID
DTXSID00201595- UNII
- RP5GUS47MK
- EC Number
- 110-894-5
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 152
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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
0 records
No reaction records under the current filter.
Compound notes
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