Basic information
- CAS
22356-80-5- Standard SMILES
Cc1ccc(S(=O)(=O)O)c(O)c1- InChIKey
GCFPFWRHYINTRX-UHFFFAOYSA-N- Molecular formula
- C7H8O4S
- Average molar mass
- 188.2 g/mol
- Monoisotopic mass
- 188.01432991
Overview
See also: Policresulen (monomer of).
Names & identifiers
- Preferred name
- 2-Hydroxy-4-methylbenzenesulfonic acid
- IUPAC
- 2-hydroxy-4-methylbenzenesulfonic acid
- English name
- 2-hydroxy-4-methylbenzenesulphonic acid
- Molecular formula
- C7H8O4S
- Molecular weight
- 188.2
Names & synonyms
2-Hydroxy-4-methylbenzenesulfonic acid22356-80-52-Hydroxy-4-methylbenzenesulphonic acidp-Toluenesulfonic acid, 2-hydroxyUNII-TEU858WC2WEINECS 244-933-3TEU858WC2WMETACRESOL-6-SULFONIC ACIDDTXSID90176889RefChem:6743DTXCID8099380244-933-3
Show more names
m-Cresol-6-sulfonic acidPolicresulen-001Policresulen Impurity 1Calcium m-cresolsulfonate4-Methyl-2-hydroxybenzenesulfonic acidm-Cresol-6-sulphonic acid calcium saltBenzenesulfonic acid, 2-hydroxy-4-Methyl-2-hydroxy-4-methylbenzenesulphonic acid USP/EP/BP
6-sulfo-m-cresolMFCD001299462-hydroxy-4-methylbenzene-1-sulfonic acid2-Hydroxy-4-methylbenzenesulfonic Acid; p-Toluenesulfonic acid, 2-hydroxy- (8CI)SCHEMBL942110SCHEMBL68516912-Hydroxy-4-methylbenzenesulfonicacidAKOS030568010
Database identifiers
- CAS
22356-80-5
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
- Melting point
- 97 °C · 97 °C - 100 °C
- Density
- 1.482 · 1.482±0.06 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- -0.43 · -0.43±0.50(Predicted)
- color
- Off-White to Pale Yellow
- Stability
- Hygroscopic
- FDA UNII
- 858 WC2W · TEU858WC2W
Chemistry & industry
Applications
Uses2-Hydroxy-4-methylbenzenesulfonic Acid is a by-product during the synthesis of 4-Hydroxy-2-methylbenzenesulfonic Acid (H972825), which is derived from m-Cresol (C781915), one of the components that make up liquid rice hull smoke, and may contribute to its anti-inflammatory effects in mice.
Upstream & downstream products
Upstream raw materials
Suppliers31 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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