(4-hydroxyphenyl)boronic acid (CED0022191)

Record Information

Version

1.0

Creation Date

2026-08-23 13:23:30 UTC

Update Date

2026-08-23 13:23:30 UTC

SynCED ID

CED0022191

Secondary Accession Numbers

CHEM233532

Identification

Common Name

(4-hydroxyphenyl)boronic acid

Class

Small Molecule

Description

(4-hydroxyphenyl)boronic acid is an organic compound with the formula C6H7BO3 and an average molecular weight of 137.93 g/mol. (4-hydroxyphenyl)boronic acid belongs to the 1-hydroxy-2-unsubstituted benzenoids, a subclass of phenols within the organic compounds. This benzenoid compound is found in or released from two recorded sources, specifically electrical and electronic equipment including antennas, communication cables, or conductors.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₇BO₃

Average Molecular Mass

137.930 g/mol

Monoisotopic Mass

138.049 g/mol

CAS Registry Number

71597-85-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H7BO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8-10H

InChI Key

COIQUVGFTILYGA-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

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2483.0 Log mg/kg [1400:4400]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000510	Communication Cables Or Conductors?Communication cables or conductors are essential components in the transmission of data and signals in various applications, including telecommunications and networking.	Electrical & Electronic Equipment	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000686	Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.	Building & Construction	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000698	Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.	Mining & metal processing	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

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)	Prediction Confidence Score 0.518 Applicability Domain 0.55 Statistical Significance 0.0012 Supporting Reference Compounds 472 E-value 9.10836
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.492 Applicability Domain 0.526 Statistical Significance 7.00e-04 Supporting Reference Compounds 102 E-value 5.44945
Click to view 3D structure	Beta-lactamase	P00811	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.491 Applicability Domain 0.55 Statistical Significance 3.00e-05 Supporting Reference Compounds 35 E-value 0.233548
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.459 Applicability Domain 0.55 Statistical Significance 2.90e-04 Supporting Reference Compounds 68 E-value 2.25763
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.455 Applicability Domain 0.526 Statistical Significance 0.003 Supporting Reference Compounds 407 E-value 23.1212
Click to view 3D structure	Subtilisin BL	P29599	Bacillus lentus	Predicted (SEA)	Prediction Confidence Score 0.4 Applicability Domain 0.55 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Carbonic anhydrase 3	P07451	Humans	Predicted (SEA)	Prediction Confidence Score 0.399 Applicability Domain 0.533 Statistical Significance 3.30e-04 Supporting Reference Compounds 64 E-value 2.56902
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.383 Applicability Domain 0.533 Statistical Significance 0.0071 Supporting Reference Compounds 332 E-value 55.1951
Click to view 3D structure	Lipoprotein lipase	P06858	Humans	Predicted (SEA)	Prediction Confidence Score 0.374 Applicability Domain 0.55 Statistical Significance 2.00e-05 Supporting Reference Compounds 9 E-value 0.155698
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.367 Applicability Domain 0.526 Statistical Significance 0.0045 Supporting Reference Compounds 193 E-value 35.1878
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.353 Applicability Domain 0.526 Statistical Significance 0.008 Supporting Reference Compounds 242 E-value 62.0458
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 2	P11507	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.348 Applicability Domain 0.348 Statistical Significance 1.10e-04 Supporting Reference Compounds 1 E-value 0.856341
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.342 Applicability Domain 0.526 Statistical Significance 0.005 Supporting Reference Compounds 151 E-value 39.0803
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	Prediction Confidence Score 0.335 Applicability Domain 0.526 Statistical Significance 0.0011 Supporting Reference Compounds 40 E-value 8.64126
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.334 Applicability Domain 0.348 Statistical Significance 0.0054 Supporting Reference Compounds 174 E-value 41.7272
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.334 Applicability Domain 0.348 Statistical Significance 0.0076 Supporting Reference Compounds 201 E-value 59.3211
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.368 Statistical Significance 0.0203 Supporting Reference Compounds 372 E-value 158.034
Click to view 3D structure	Endolysin	P00720	Enterobacteria phage T4	Predicted (SEA)	Prediction Confidence Score 0.32 Applicability Domain 0.32 Statistical Significance 6.60e-04 Supporting Reference Compounds 1 E-value 5.13805
Click to view 3D structure	Carbonic anhydrase	Q2PCB5	Dicentrarchus labrax	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.533 Statistical Significance 1.50e-04 Supporting Reference Compounds 9 E-value 1.16774
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.5 Statistical Significance 0.0064 Supporting Reference Compounds 104 E-value 50.1349
Click to view 3D structure	Tyrosinase	O42713	Agaricus bisporus	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.533 Statistical Significance 0.0016 Supporting Reference Compounds 39 E-value 12.378
Click to view 3D structure	Succinate-semialdehyde dehydrogenase, mitochondrial	P51649	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.296 Low confidence Statistical Significance 2.20e-04 Supporting Reference Compounds 1 E-value 1.71268
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.348 Statistical Significance 0.014 Supporting Reference Compounds 157 E-value 109.378
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.348 Statistical Significance 0.0192 Supporting Reference Compounds 165 E-value 149.704
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.348 Statistical Significance 0.0017 Supporting Reference Compounds 47 E-value 13.0008