Basic information
- CAS
16794-13-1- Standard SMILES
CC(C)(C)S(=O)(=O)O- InChIKey
XCJGLBWDZKLQCY-UHFFFAOYSA-N- Molecular formula
- C4H10O3S
- Average molar mass
- 138.19 g/mol
- Monoisotopic mass
- 138.03506535
Names & identifiers
- Preferred name
- 2-Methylpropane-2-sulfonic acid
- IUPAC
- 2-methylpropane-2-sulfonic acid
- English name
- 2-Propanesulfonic acid, 2-methyl-
- Molecular formula
- C4H10O3S
- Molecular weight
- 138.19
Names & synonyms
2-methylpropane-2-sulfonic acid2-methyl-2-propanesulfonic acidRefChem:476186969-190-916794-13-12-Propanesulfonic acid, 2-methyl-SCHEMBL28623SCHEMBL28624SCHEMBL7559376DTXSID50328382CS-0529765EN300-1576956
Show more names
Q27466735
Database identifiers
- CAS
16794-13-1- PubChem CID
- 409758
- DTXSID
DTXSID50328382- EC Number
- 969-190-9
- Nikkaji
- J1.263.735G
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 113 °C · 113 °C
- Boiling point
- 173 °C · 173 °C(Press: 1.5 Torr)
- Density
- 1.218 g/cm3 · 1.2180 g/cm3(Temp: 25 °C)
- pka
- 1.99 · 1.99±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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