Basic information
- CAS
1321-14-8- Standard SMILES
COc1cc(S(=O)(=O)O)ccc1O- InChIKey
QDRCGSIKAHSALR-UHFFFAOYSA-N- Molecular formula
- C7H8O5S
- Average molar mass
- 204.2 g/mol
- Monoisotopic mass
- 204.00924453
Overview
4-hydroxy-3-methoxybenzene-1-sulfonic acid is an arenesulfonic acid that is guaiacol sulfated at position 4. Commonly used (in the form of its potassium salt) as an expectorant. It has a role as an expectorant. It is a member of guaiacols and an arenesulfonic acid. It is functionally related to a guaiacol. It is a conjugate acid of a 4-hydroxy-3-methoxybenzene-1-sulfonate.
Names & identifiers
- Preferred name
- Sulfogaiacol
- IUPAC
- 4-hydroxy-3-methoxybenzenesulfonic acid
- English name
- Potassium guaiacolsulfonate
- Molecular formula
- C7H8O5S
- Molecular weight
- 204.2
Names & synonyms
4-hydroxy-3-methoxybenzenesulfonic acid7134-11-4SulfogaiacolGuaiacolsulfonic acidSulfogaiacol [INN]4-guaiacolsulfonic acidBenzenesulfonic acid, 4-hydroxy-3-methoxy-6L00O0WHZRSULFOGAIACOL [WHO-DD]DTXSID80991669EINECS 230-434-8Sulfogaiacol (INN)
Show more names
4-hydroxy-3-methoxybenzene-1-sulfonicaciGUAIACOLSULFONIC ACID POTASSIUM SALT HEMIHYDRATEGuaiacolsulfonic Acid Potassium Salt 4-Hydroxy-3-methoxybenzenesulfonic Acid Potassium Salt Potassium 4-Hydroxy-3-methoxybenzenesulfonatePotassium guiacolsulfateQ: What is Potassium guiacolsulfate Q: What is the CAS Number of Potassium guiacolsulfate Q: What is the storage condition of Potassium guiacolsulfate
sulfoguaiacoloRefChem:889576DTXCID601018155EINECS 256-807-5Guaiacolsulfonate4-hydroxy-3-methoxybenzene-1-sulfonic acid4-Hydroxy-3-methoxybenzenesulphonic acidGuajacol-5-sulfosaure
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- FDA UNII
- 6 L00O0WHZR · 6L00O0WHZR
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Safety Statements
- 22 · 22-24/25
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
Applications
Uses4-Hydroxy-3-methoxybenzenesulfonic Acid has been shown to have antitumor activity mice and rats inoculated with leukemia, adenocarcinoma, carcinosarcoma, and ovarian carcinoma cells.
Suppliers9 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
Related reactions
1 records
Compound notes
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