(4-hydroxyphenyl) hydrogen sulfate (CED0009510)

Record Information

Version

1.0

Creation Date

2026-08-23 13:18:30 UTC

Update Date

2026-08-23 13:18:30 UTC

Accession Number

CHEM233483

Identification

Common Name

(4-hydroxyphenyl) hydrogen sulfate

Class

Small Molecule

Description

(4-hydroxyphenyl) hydrogen sulfate belongs to the arylsulfates, a subclass of organic sulfuric acids and derivatives within the organic compounds. This compound has the chemical formula C6H6O5S and an average molecular weight of 190.18 g/mol. It is recorded as being found in or released from electrical and electronic equipment, specifically sparking plugs.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₆O₅S

Average Molecular Mass

190.180 g/mol

Monoisotopic Mass

189.994 g/mol

CAS Registry Number

17438-29-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H6O5S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4,7H,(H,8,9,10)

InChI Key

FPXPQMOQWJZYBL-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0bt9-3900000000-34aea461492efa4a307f	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0900000000-3f657467c7f19c61f31a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dl-1900000000-4cf6001d3864f8312f8a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9200000000-675912cc7519fd7f7841	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0900000000-05ea24ffe517aaf5638a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0900000000-f2ab37855731fb3a6846	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-5900000000-95d1314d35955be62937	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0900000000-65e842416b97970070f9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0900000000-65e842416b97970070f9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9200000000-3321dc4bdc657a7d1330	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0900000000-8f180b92f104e21bbd0a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00dl-1900000000-d54d35a6b4720067911c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9800000000-2819d6034796634f6d88	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

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
2303.0	Log mg/kg	[1300:4100]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
533	Sparking Plugs	Electrical & Electronic Equipment	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 2	P00918	Humans	Predicted (SEA)	93.2634
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	76.915
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	90.7722
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	108.21
Click to view 3D structure	Carbonic anhydrase 3	P07451	Humans	Predicted (SEA)	13.7793
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	104.629
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	89.6823
Click to view 3D structure	Endolysin	P00720	Enterobacteria phage T4	Predicted (SEA)	6.22794
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	62.5129
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	461.646
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	110.624
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	50.2127
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	103.306
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	108.911
Click to view 3D structure	Transthyretin	P02766	Humans	Predicted (SEA)	31.2954
Click to view 3D structure	Cytochrome P450 1B1	Q16678	Humans	Predicted (SEA)	66.4054
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	104.785
Click to view 3D structure	Tyrosinase	P14679	Humans	Predicted (SEA)	12.923
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	329.302
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	113.271
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	121.912
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	161.537
Click to view 3D structure	Succinate-semialdehyde dehydrogenase, mitochondrial	P51649	Humans	Predicted (SEA)	2.17978
Click to view 3D structure	Organic anion transporter 3	Q9R1U7	Rattus norvegicus	Predicted (SEA)	0.155698
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	80.6518