1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1)
Basic information
- CAS
10026-99-0- Standard SMILES
CN(C)C(C)(C)CO.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
JZFUBSFZOGZENZ-UHFFFAOYSA-N- Molecular formula
- C13H23NO4S
- Average molar mass
- 289.39 g/mol
- Monoisotopic mass
- 289.13477939
Names & identifiers
- Preferred name
- 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1)
- IUPAC
- 2-(dimethylamino)-2-methylpropan-1-ol;4-methylbenzenesulfonic acid
- English name
- (2-hydroxy-1,1-dimethylethyl)dimethylammonium toluene-p-sulphonate
- Molecular formula
- C13H23NO4S
- Molecular weight
- 289.39
Names & synonyms
10026-99-0DTXSID5064910EINECS 233-066-62-Dimethylamino-2-methyl-1-propanol, p-toluenesulfonate (salt)(2-Hydroxy-1,1-dimethylethyl)dimethylammonium toluene-p-sulphonate2-Dimethylamino-2-methylpropanol p-toluenesulfonate1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1)RefChem:77145DTXCID7032501233-066-61-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (salt)JZFUBSFZOGZENZ-UHFFFAOYSA-N
Show more names
2-(dimethylamino)-2-methylpropan-1-ol;4-methylbenzenesulfonic acid4-Methylbenzene-1-sulfonic acid--2-(dimethylamino)-2-methylpropan-1-ol (1/1)
Database identifiers
- CAS
10026-99-0- PubChem CID
- 82303
- DTXSID
DTXSID5064910- EC Number
- 233-066-6
Properties
Computed structural properties
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (salt) (10026-99-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 98.6% (73 of 74) of all reports.
Not Classified
Aggregated GHS information provided per 74 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (salt): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanol, 2-(dimethylamino)-2-methyl-, 4-methylbenzenesulfonate (1:1): ACTIVE
Suppliers
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Related reactions
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Compound notes
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