2-sulfooxybenzoic acid (CED0057810)

Record Information

Version

1.0

Creation Date

2026-08-24 06:09:20 UTC

Update Date

2026-08-24 06:09:20 UTC

Accession Number

CHEM244747

Identification

Common Name

2-sulfooxybenzoic acid

Class

Small Molecule

Description

2-sulfooxybenzoic acid is an organic compound with the formula C7H6O6S and an average molecular weight of 218.19 g/mol. 2-sulfooxybenzoic acid belongs to the arylsulfates, a subclass of organic sulfuric acids and derivatives within the organic compounds. This substance is associated with nine recorded sources across various sectors. In the realm of electrical and electronic equipment, it is found in or released from coils, magnets, thin magnetic films, and adjustable resistors. Within the food, food processing and cookware category, the compound is linked to the processing of fish and the preparation of wort and vinegar. Additionally, it is found in household cleaning and consumer products, specifically in pipe accessories and other smoking requisites.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₆O₆S

Average Molecular Mass

218.190 g/mol

Monoisotopic Mass

217.989 g/mol

CAS Registry Number

89-45-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H6O6S/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12)

InChI Key

MOODSJOROWROTO-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
3454.0	Log mg/kg	[1900:6100]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
504	Adjustable Resistors	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
538	Thin Magnetic Films	Electrical & Electronic Equipment	Not Available
548	Preparation Of Vinegar	Food, food processing & cookware	Not Available
550	Preparation Of Wort	Food, food processing & cookware	Not Available
551	Processing Fish	Food, food processing & cookware	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
594	Ship Hulls	Marine, shipping & aquaculture	Not Available
635	Buttons	Textiles, leather & furnishings	Not Available
645	Inorganic Fibres	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Nicotinate phosphoribosyltransferase	Q6XQN6	Humans	Predicted (SEA)	0.233548
Click to view 3D structure	p-hydroxybenzoate hydroxylase	P00438	Pseudomonas fluorescens	Predicted (SEA)	3.58106
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	95.7545
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	137.17
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	124.014
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	46.1646
Click to view 3D structure	Advanced glycosylation end product-specific receptor	Q63495	Rattus norvegicus	Predicted (SEA)	0.700643
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	29.8941
Click to view 3D structure	Aldo-keto reductase family 1 member C3	P42330	Humans	Predicted (SEA)	20.3186
Click to view 3D structure	Aldo-keto reductase family 1 member C2	P52895	Humans	Predicted (SEA)	17.2047
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	38.0683
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	182.946
Click to view 3D structure	Eukaryotic peptide chain release factor GTP-binding subunit	P05453	Saccharomyces cerevisiae	Predicted (SEA)	0.233548
Click to view 3D structure	Complement factor D	P32038	Rattus norvegicus	Predicted (SEA)	2.41333
Click to view 3D structure	Acetolactate synthase	Q8S3J0	Bromus tectorum	Predicted (SEA)	2.33548
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	44.919
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	121.912
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	173.604
Click to view 3D structure	Prostaglandin G/H synthase 2	P79208	Ovis aries	Predicted (SEA)	27.1694
Click to view 3D structure	C-C chemokine receptor type 2	P41597	Humans	Predicted (SEA)	48.033
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	144.722
Click to view 3D structure	Metallo beta-lactamase	Q6TUJ4	Pseudomonas aeruginosa	Predicted (SEA)	2.64687
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	1253.37
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	207.079
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	1613.74