Dipotassium o-benzenedisulphonate hydrate (CED0182117)

Record Information

Version

1.0

Creation Date

2026-04-04 21:38:51 UTC

Update Date

2026-08-23 13:19:01 UTC

Accession Number

CHEM082399

Identification

Common Name

Dipotassium o-benzenedisulphonate hydrate

Class

Small Molecule

Description

Dipotassium o-benzenedisulphonate hydrate is an organic compound with the formula C6H6O6S2 and an average molecular weight of 238.20 g/mol. Dipotassium o-benzenedisulphonate hydrate belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is classified within the superclass of benzenoids. This compound has been found in or released from two recorded sources: electrical and electronic equipment auxiliary devices, as well as food, food processing and cookware used for processing fish.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₆O₆S₂

Average Molecular Mass

238.200 g/mol

Monoisotopic Mass

237.961 g/mol

CAS Registry Number

31375-00-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/C6H6O6S2/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h1-4H,(H,7,8,9)(H,10,11,12)

InChI Key

MIAUJDCQDVWHEV-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
4048.0	Log mg/kg	[2300:7200]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
551	Processing Fish	Food, food processing & cookware	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	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	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	52.5482
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	33.7866
Click to view 3D structure	Carbonate dehydratase	B2V8E3	Sulfurihydrogenibium sp. (strain YO3AOP1)	Predicted (SEA)	35.4992
Click to view 3D structure	Carbonic anhydrase	O24855	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	35.0322
Click to view 3D structure	Carbonic anhydrase, alpha family	Q31FD6	Thiomicrospira crunogena	Predicted (SEA)	35.4992
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	56.2071
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	48.9672
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	24.4447
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	8.56341
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	95.0539
Click to view 3D structure	Carbonic anhydrase	Q6FTL6	Candida glabrata CBS 138	Predicted (SEA)	73.7232
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	70.4535
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	203.186
Click to view 3D structure	Matrix metalloproteinase-14	P50281	Humans	Predicted (SEA)	353.124
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	302.6
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	132.032
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	40.4037
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	119.499
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	83.143
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	145.5
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	67.1839
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	179.209
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	23.1991
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	23.1991
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	70.22