Basic information
- CAS
4016-01-7- Standard SMILES
Cc1cccc(S(=O)(=O)O)c1O- InChIKey
ODEFERITUOZPHJ-UHFFFAOYSA-N- Molecular formula
- C7H8O4S
- Average molar mass
- 188.2 g/mol
- Monoisotopic mass
- 188.01432991
Names & identifiers
- Preferred name
- 2-Hydroxy-3-methylbenzenesulfonic acid
- IUPAC
- 2-hydroxy-3-methylbenzenesulfonic acid
- English name
- 2-hydroxy-3-methyl-benzenesulfonic acid
- Molecular formula
- C7H8O4S
- Molecular weight
- 188.2
Names & synonyms
2-hydroxy-3-methylbenzenesulfonic acid4016-01-7o-Cresol-6-sulfonic acid00J85O58VSBenzenesulfonic acid, 2(or 4)-hydroxy-3-methyl-EINECS 223-670-8Benzenesulfonic acid, 2-hydroxy-3-methyl-M-TOLUENESULFONIC ACID, 2-HYDROXY-RefChem:473150o-Cresolsulfonic acid2-Hydroxy-3-methylbenzenesulphonic acido-Cresol-4(or 6)-sulfonic acid
Show more names
2-hydroxy-3-methyl-benzenesulfonic acid
52277-26-62-hydroxy-3-methylbenzene-1-sulfonic acidSCHEMBL21084SCHEMBL161924UNII-00J85O58VSDTXSID6068729ODEFERITUOZPHJ-UHFFFAOYSA-NAKOS015897637
Database identifiers
- CAS
4016-01-7、52277-26-6- PubChem CID
- 77632
- DTXSID
DTXSID6068729- UNII
- 00J85O58VS
- EC Number
- 223-670-8
- Nikkaji
- J163.810F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- FDA UNII
- 0 J85O58VS · 00J85O58VS
- EPA Substance Registry System
- -4 · o-Cresol-4(or 6)-sulfonic acid (52277-26-6)
- 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.
Hazard information
Regulatory InformationChemical: Benzenesulfonic acid, 2-hydroxy-3-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2(or 4)-hydroxy-3-methyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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