(4-ethenylphenyl)boronic acid (CED0218504)

Record Information
Version1.0
Creation Date2026-08-25 04:26:53 UTC
Update Date2026-08-25 04:26:53 UTC
SynCED IDCED0218504
Secondary Accession Numbers
  • CHEM259543
Identification
Common Name(4-ethenylphenyl)boronic acid
ClassSmall Molecule
Description
(4-ethenylphenyl)boronic acid is an organic compound with the formula C8H9BO2 and an average molecular weight of 147.97 g/mol. (4-ethenylphenyl)boronic acid belongs to the styrenes, a subclass of benzene and substituted derivatives within the organic compounds. It is further classified under the superclass of benzenoids. This compound has been identified in or released from five recorded sources. These include food, food processing and cookware, specifically in the preparation of wort. Additionally, it is associated with electrical and electronic equipment, including magnets, video games, power cables, and communication cables or conductors.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC8H9BO2
Average Molecular Mass147.970 g/mol
Monoisotopic Mass148.070 g/mol
CAS Registry Number2156-04-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H9BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6,10-11H,1H2
InChI KeyQWMJEUJXWVZSAG-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1405.0 Log mg/kg [790:2500]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000510Communication 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 EquipmentPubChem
CEDs000511Conductors 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 EquipmentPubChem
CEDs000519Electrodes?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 EquipmentPubChem
CEDs000524Hybrid 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 EquipmentPubChem
CEDs000527Magnets?Magnets, commonly used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials used in their production.Electrical & Electronic EquipmentPubChem
CEDs000529Power Cables?Power cables are used to transmit electrical energy and are typically composed of conductive materials, insulation, and protective coatings.Electrical & Electronic EquipmentPubChem
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.Electrical & Electronic EquipmentPubChem
CEDs000545Food 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 & cookwarePubChem
CEDs000550Preparation Of Wort?The preparation of wort involves the extraction of sugars from malted grains, a crucial step in the brewing process.Food, food processing & cookwarePubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000730Contact Lens Cases?Contact lens cases are small containers designed to store contact lenses in a sterile environment, typically made from various synthetic materials including plastics such as polypropylene or polycarbonate.Healthcare, pharmaceuticals & veterinary productsPubChem
CEDs000738Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureGlycoproteinP08667Rabies virus (strain Pasteur vaccins / PV)KnownNot Available
Chymotrypsinogen A structureClick to view 3D structureChymotrypsinogen AP00766Bos taurusPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.435
Statistical Significance
0.0724
Supporting Reference Compounds
32
E-value
563.551
Click to view 3D structureDihydropyrimidine dehydrogenase [NADP(+)]Q12882HumansPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.206 Low confidence
Statistical Significance
1.20e-04
Supporting Reference Compounds
1
E-value
0.934191
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.226 Low confidence
Statistical Significance
0.4881
Supporting Reference Compounds
372
E-value
3799.9
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.226 Low confidence
Statistical Significance
0.302
Supporting Reference Compounds
172
E-value
2350.81
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.226 Low confidence
Statistical Significance
0.2332
Supporting Reference Compounds
157
E-value
1815.13
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.226 Low confidence
Statistical Significance
0.2868
Supporting Reference Compounds
165
E-value
2233.03
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)
Prediction Confidence Score
0.201
Applicability Domain
0.226 Low confidence
Statistical Significance
0.3874
Supporting Reference Compounds
182
E-value
3015.57
Transthyretin structureClick to view 3D structureTransthyretinP02766HumansPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.226 Low confidence
Statistical Significance
0.1168
Supporting Reference Compounds
55
E-value
909.279
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.226 Low confidence
Statistical Significance
0.7949
Supporting Reference Compounds
553
E-value
6188.39
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.226 Low confidence
Statistical Significance
0.533
Supporting Reference Compounds
332
E-value
4149.36
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.416
Applicability Domain
0.435
Statistical Significance
0.0015
Supporting Reference Compounds
102
E-value
11.366
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.416
Applicability Domain
0.458
Statistical Significance
0.006
Supporting Reference Compounds
472
E-value
46.6317
Beta-lactamase structureClick to view 3D structureBeta-lactamaseP00811Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.415
Applicability Domain
0.458
Statistical Significance
8.00e-05
Supporting Reference Compounds
35
E-value
0.622794
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.392
Applicability Domain
0.458
Statistical Significance
9.80e-04
Supporting Reference Compounds
68
E-value
7.62922
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.387
Applicability Domain
0.435
Statistical Significance
0.0081
Supporting Reference Compounds
407
E-value
63.3693
Subtilisin BL structureClick to view 3D structureSubtilisin BLP29599Bacillus lentusPredicted (SEA)
Prediction Confidence Score
0.339
Applicability Domain
0.458
Statistical Significance
2.00e-05
Supporting Reference Compounds
2
E-value
0.155698
Lipoprotein lipase structureClick to view 3D structureLipoprotein lipaseP06858HumansPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.458
Statistical Significance
6.00e-05
Supporting Reference Compounds
9
E-value
0.467095
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.435
Statistical Significance
0.0022
Supporting Reference Compounds
40
E-value
17.4382
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.423
Statistical Significance
0.0199
Supporting Reference Compounds
104
E-value
155.231
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.435
Statistical Significance
0.0802
Supporting Reference Compounds
242
E-value
624.74
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.435
Statistical Significance
0.041
Supporting Reference Compounds
151
E-value
319.182
Click to view 3D structureEstrogen receptorP49884Bos taurusPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
3.10e-04
Supporting Reference Compounds
1
E-value
2.41333
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.435
Statistical Significance
0.0652
Supporting Reference Compounds
193
E-value
507.966
Subtilisin Carlsberg structureClick to view 3D structureSubtilisin CarlsbergP00780Bacillus licheniformisPredicted (SEA)
Prediction Confidence Score
0.238
Applicability Domain
0.257 Low confidence
Statistical Significance
1.90e-04
Supporting Reference Compounds
2
E-value
1.47914
Succinate-semialdehyde dehydrogenase, mitochondrial structureClick to view 3D structureSuccinate-semialdehyde dehydrogenase, mitochondrialP51649HumansPredicted (SEA)
Prediction Confidence Score
0.219
Applicability Domain
0.219 Low confidence
Statistical Significance
0.0024
Supporting Reference Compounds
1
E-value
18.3724
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available