2,3,4,6-Tetrachlorophenol (CED0018865)

Record Information
Version1.0
Creation Date2016-05-19 01:31:05 UTC
Update Date2026-08-23 08:19:25 UTC
SynCED IDCED0018865
Secondary Accession Numbers
  • CHEM003972
Identification
Common Name2,3,4,6-Tetrachlorophenol
ClassSmall Molecule
Description
2,3,4,6-Tetrachlorophenol (C6H2Cl4O) is a chemical compound with an average molecular weight of 231.88 g/mol. 2,3,4,6-Tetrachlorophenol belongs to the halophenols, a subclass of phenols within the organic compounds. This benzenoid is found in or released from 18 recorded sources. These include household cleaning and consumer products such as soap detergents, bleaching agents, and perfumes within detergents and soaps. It is also associated with building and construction materials like ceilings, as well as drinking water and indoor air. Further sources include electrical and electronic equipment, such as electrodes, electric switches, discharge lamps, conductors or conductive bodies characterised by the conductive materials, and communication cables or conductors. Additionally, it is found in food, food processing and cookware, specifically regarding food preservation, food contact materials, and the preparation of wine, sparkling wine, or fermentation processes for beer. Recorded exposure routes for this compound include oral, inhalation, and touch. The health effects associated with 2,3,4,6-Tetrachlorophenol include obesity (PMC8794682 ) and an increase in disease (PMC1519312 ). Furthermore, it is associated with brain cancer (PMC6625894 ), lymphoma (PMC6625894 ), and leukemia (PMC6625894 ).
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
1-Hydroxy-2,3,4,6-tetrachlorobenzeneChEBI
2,3,4,6-TeCPChEBI
2,4,5,6-TetrachlorophenolChEBI
Dowicide 6ChEBI
2346-Tetrachloro-phenolHMDB
2,3,4,6-Tetrachlorophenol sodium saltHMDB
Sodium 2,3,4,6-tetrachlorophenolateHMDB
Chemical FormulaC6H2Cl4O
Average Molecular Mass231.880 g/mol
Monoisotopic Mass229.886 g/mol
CAS Registry Number58-90-2
IUPAC Name2,3,4,6-tetrachlorophenol
Traditional Namechlorophenols
SMILESOC1=C(Cl)C(Cl)=C(Cl)C=C1Cl
InChI IdentifierInChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H
InChI KeyVGVRPFIJEJYOFN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as p-chlorophenols. These are chlorophenols carrying a iodine at the C4 position of the benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassHalophenols
Direct ParentP-chlorophenols
Alternative Parents
Substituents
  • 4-chlorophenol
  • 2-chlorophenol
  • 3-chlorophenol
  • Halobenzene
  • Chlorobenzene
  • Monocyclic benzene moiety
  • Aryl halide
  • Aryl chloride
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organochloride
  • Organohalogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.098 g/LALOGPS
logP4.37ALOGPS
logP4.09ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)5.49ChemAxon
pKa (Strongest Basic)-8.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity47.26 m³·mol⁻¹ChemAxon
Polarizability18.44 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-003r-0290000000-e54498d20add87592002Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-dba09e38f682b17a1153Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002f-0960000000-6935f4550068caefe8d0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0390000000-fb2ca22269ec6915af29Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-ebb78886c203a8f23a49Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-ab23c87a3c90ef81323eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-8b6de7f57b32a5a72006Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-ee0eafe698d950d26362Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-4c5fd105dcc5e5d6ae68Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-6b1704d1f490e482dd7eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-e79219a2ec16c2f30520Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-0cb99900d0a688b1971aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-1a6c06d5976fc728165dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-1a6c06d5976fc728165dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-3090000000-d79f44295aafb403f264Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-dba09e38f682b17a1153Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-dba09e38f682b17a1153Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-2090000000-2542ec1cd4e3715cd721Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
267.0 Log mg/kg [150:480]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
lung cancerAssociated With?Not AvailableA respiratory system cancer that is located in the lung. (DO)PMC3649668 , PMC3649668
cancerAssociated With?Not AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC3649668
multiple myelomaAssociated With?Not AvailableA myeloid neoplasm that is located in the plasma cells in bone marrow. (DO)PMC3649668
asthmaAssociated With?Not AvailableA bronchial disease that is characterized by chronic inflammation and narrowing of the airways, which is caused by a combination of environmental and genetic factors. The disease has symptom recurring periods of wheezing (a whistling sound while breathing), has symptom chest tightness, has symptom shortness of breath, has symptom mucus production and has symptom coughing. The symptoms appear due to a variety of triggers such as allergens, irritants, respiratory infections, weather changes, exercise, stress, reflux disease, medications, foods and emotional anxiety. (DO)PMC3649668
asthmaAssociated With?increaseA bronchial disease that is characterized by chronic inflammation and narrowing of the airways, which is caused by a combination of environmental and genetic factors. The disease has symptom recurring periods of wheezing (a whistling sound while breathing), has symptom chest tightness, has symptom shortness of breath, has symptom mucus production and has symptom coughing. The symptoms appear due to a variety of triggers such as allergens, irritants, respiratory infections, weather changes, exercise, stress, reflux disease, medications, foods and emotional anxiety. (DO)PMC3649668
diabetes mellitusAssociated With?Not AvailableA glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)PMC8794682
hemolysisAssociated With?Not AvailableNot AvailablePMC3649668
necrosisAssociated With?Not AvailableA disorder characterized as a form of cell injury which results in the premature death of cells in living tissue by autolysis.PMC3649668
leukemiaAssociated With?Not AvailableA cancer that affects the blood or bone marrow characterized by an abnormal proliferation of blood cells. (DO)PMC6625894
obesityAssociated With?Not AvailableA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC8794682
lymphomaAssociated With?Not AvailableA hematologic cancer that affects lymphocytes that reside in the lymphatic system and in blood-forming organs. (DO)PMC6625894
heart diseaseAssociated With?Not AvailableA cardiovascular system disease that involves the heart. (DO)PMC3649668
osteoarthritisHas Therapeutic Effect OnNot AvailableAn arthritis that has material basis in worn out cartilage located in joint. (DO)PMC5707681
diseaseAssociated With?increaseNot AvailablePMC1519312
non-Hodgkin lymphomaAssociated With?Not AvailableNot AvailablePMC3649668 , PMC3649668
brain cancerAssociated With?Not AvailableNot AvailablePMC6625894
soft tissue sarcomaAssociated With?increaseNot AvailablePMC1128032
soft tissue sarcomaAssociated With?Not AvailableNot AvailablePMC3649668
sarcomaAssociated With?Not AvailableA cell type cancer that has material basis in abnormally proliferating cells derives from embryonic mesoderm. (DO)PMC3649668 , PMC3649668
HyperkalemiaNot AvailableNot AvailableNot AvailablePMC5362098 , PMC5362098
depressive disorderAssociated With?increaseNot AvailablePMC3649668
constipation disorderAssociated With?Not AvailableNot AvailablePMC7178180 , PMC7178180
MorbidityAssociated With?increaseNot AvailablePMC3649668
Cutis laxaHas Therapeutic Effect OnNot AvailableNot AvailablePMC5707681
endocrine system disorderAssociated With?Not AvailableNot AvailablePMC7829762
neoplasmAssociated With?Not AvailableNot AvailablePMC3649668
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementPMC9173806 , PMC11194710
CEDs000008Herbicides?Herbicides are synthetic chemicals designed to control or eliminate unwanted vegetation, particularly weeds, in various agricultural practices.Agriculture & land managementPMC9173806 , PMC5806603
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem, PMC11194710
CEDs000013Soil?Soil serves as a critical medium for plant growth and sustains various ecological functions; however, it can become a reservoir for synthetic chemical contamination.Agriculture & land managementPMC12033057 , PMC10383561
CEDs000019Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.Air, dust & atmospheric transportNot Available
CEDs000048Marine sediment?Marine sediment can serve as a significant reservoir for synthetic chemical contaminants, which may originate from various anthropogenic activities.Aquatic systems & sedimentsPMC10383561 , PMC10383561
CEDs000050Groundwater?Groundwater serves as a vital resource for drinking water and agricultural irrigation but is increasingly susceptible to contamination from synthetic chemicals.Aquatic systems & sedimentsPMC1519312 , PMC6272018
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC12188426 , PMC3649668
CEDs000070Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.Automotive & urban infrastructurePubChem
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyPMC11194710 , PMC13018987
CEDs000116Tap water?Tap water can be a potential source of synthetic chemical contamination due to various industrial processes and agricultural runoff.Drinking water & water supplyPMC12564835
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentPMC12431518
CEDs000156Disinfectants?Disinfectants are synthetic chemicals designed to eliminate or inhibit the growth of microorganisms on surfaces.Household cleaning & consumer productsPMC5806603
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingPMC11821709
CEDs000181Ballast water?Ballast water, taken on by ships to maintain stability and balance, often contains a diverse array of microorganisms, including bacteria, viruses, and plankton.Marine, shipping & aquaculturePubChem
CEDs000182Bilge water?Bilge water is a byproduct generated from the accumulation of water in the lowest part of a ship's hull, which may include a mixture of seawater, oil, fuel residues, and various contaminants.Marine, shipping & aquaculturePubChem
CEDs000233Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.Personal care & cosmeticsPubChem
CEDs000464Leachate?Leachate is a liquid that forms when water percolates through waste material, dissolving soluble compounds and carrying various contaminants.Waste management, landfill & incinerationPMC7765096
CEDs000468Industrial wastewater?Industrial wastewater is a byproduct generated during various manufacturing and processing activities, which often contains a complex mixture of organic and inorganic synthetic chemicals.Wastewater, sanitation & biosolidsPMC7829762 , PMC9859220
CEDs000469Sewage sludge?Sewage sludge is a byproduct generated during the treatment of wastewater in municipal and industrial processes.Wastewater, sanitation & biosolidsPMC11295122 , PMC11295122
CEDs000494Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.Food, food processing & cookwareNot Available
CEDs000495Ceilings?Ceilings in built environments can be a source of synthetic chemical contamination due to the materials used in their construction and finishes.Building & ConstructionPubChem
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
CEDs000514Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.Electrical & Electronic EquipmentPubChem
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.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
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.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
CEDs000529Power Cables?Power cables are used to transmit electrical energy and are typically composed of conductive materials, insulation, and protective coatings.Electrical & Electronic EquipmentPubChem
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwarePubChem
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
CEDs000549Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.Food, food processing & cookwarePubChem
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
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
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingPubChem
CEDs000595Ships?Ships, as vehicles for international trade and transportation, can be significant sources of synthetic chemical contamination in marine environments.Marine, shipping & aquaculturePubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000630Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.Recreation & sports surfacesPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000633Azo Dyes?Azo dyes are synthetic organic compounds characterized by the presence of one or more azo groups (-N=N-), which are widely used for coloring textiles, leather, and furnishings.Textiles, leather & furnishingsPubChem
CEDs000634Buckles?Buckles, commonly used as fasteners in clothing, accessories, and furniture, can be a source of synthetic chemical contamination due to the materials and coatings employed in their production.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
CEDs000646Leather?Leather production involves the use of various synthetic chemicals, such as chromium salts, aldehydes, and aniline dyes, which are employed in the tanning and finishing processes.Textiles, leather & furnishingsPMC11194710
CEDs000648Nitro Dyes?Nitro dyes are synthetic colorants that contain nitro groups (-NO2) in their chemical structure.Textiles, leather & furnishingsPubChem
CEDs000652Ropes?Ropes manufactured from synthetic fibers, such as polypropylene, nylon, and polyester, are widely used in various applications, including marine, construction, and outdoor activities.Textiles, leather & furnishingsPubChem
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000659Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000669PFAS Fire Fighting Foam?PFAS fire fighting foam refers to a class of synthetic foams containing per- and polyfluoroalkyl substances (PFAS), which are designed to suppress flammable liquid fires.Fire suppression systems & agentsPubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000684Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.Building & ConstructionPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.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
CEDs000690Lime?Lime, primarily comprised of calcium oxide (CaO) or calcium hydroxide (Ca(OH)₂), is widely used in various applications, including as a key ingredient in mortars, plasters, and cement.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
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
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
CEDs000742Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.Textiles, leather & furnishingsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs00751FeedAgriculture & land managementPMC7009407 , PMC7178180
CEDs00753Agricultural SoilAgriculture & land managementPMC6043799
CEDs00829Agricultural RunoffAgriculture & land managementPMC9859220
CEDs00970Polluted SoilsAgriculture & land managementPMC6296172
CEDs01144FoodFood, food processing & cookwarePMC7329780
CEDs01152Food ChainFood, food processing & cookwarePMC7009407 , PMC11821709
CEDs01153Breast MilkFood, food processing & cookwarePMC12691766
CEDs01168Food ProductsFood, food processing & cookwarePMC9273335
CEDs01184Vegetable OilFood, food processing & cookwarePMC12691766
CEDs01199Honey SamplesFood, food processing & cookwarePMC12942784 , PMC7180442
CEDs01313JuiceFood, food processing & cookwarePMC12942784
CEDs01340Plant-based FoodsFood, food processing & cookwarePMC12691766
CEDs01561Mother S MilkFood, food processing & cookwarePMC5984635
CEDs01616Edible Vegetable OilsFood, food processing & cookwarePMC12691766
CEDs01886PlasticIndustrial manufacturing & chemical processingPMC11194710
CEDs01967Industrial DischargesIndustrial manufacturing & chemical processingPMC13177017
CEDs02026LubricantIndustrial manufacturing & chemical processingPMC8026443
CEDs02071Industrial WastesWaste management, landfill & incinerationPMC7829762
CEDs02076Fly AshWaste management, landfill & incinerationPMC13177017
CEDs02078Industrial WasteWaste management, landfill & incinerationPMC7829762 , PMC3649668
CEDs02116Bottom AshWaste management, landfill & incinerationPMC13177017
CEDs02132Landfill LeachatesWaste management, landfill & incinerationPMC11286677
CEDs02175Chemical WasteWaste management, landfill & incinerationPMC9173806
CEDs02230Chlorinated WaterDrinking water & water supplyPMC5031584
CEDs02255WaterAquatic systems & sedimentsPMC12033057 , PMC10383561
CEDs02257WatersAquatic systems & sedimentsPMC3649668
CEDs02261Sea WaterAquatic systems & sedimentsPMC12188426
CEDs02264SedimentAquatic systems & sedimentsPMC12033057 , PMC10383561
CEDs02265River WaterAquatic systems & sedimentsPMC6253767
CEDs02268Water SamplesAquatic systems & sedimentsPMC11991570 , PMC6253767
CEDs02276Aquatic EnvironmentAquatic systems & sedimentsPMC13177017 , PMC10383561
CEDs02298Aquatic EcosystemAquatic systems & sedimentsPMC3649668
CEDs02422Marine OrganismsAquatic systems & sedimentsPMC10383561
CEDs02454Coastal SedimentAquatic systems & sedimentsPMC10383561
CEDs02455Yangtze River EstuaryAquatic systems & sedimentsPMC10383561
CEDs02589AirAir, dust & atmospheric transportPMC12033057
CEDs02590DustAir, dust & atmospheric transportPMC12197769 , PMC12197769
CEDs02591AtmosphereAir, dust & atmospheric transportPMC13177017 , PMC13177017
CEDs02592PM2.5Air, dust & atmospheric transportPMC13177017 , PMC13177017
CEDs02593House DustAir, dust & atmospheric transportPMC12197769 , PMC12197769
CEDs02660Airborne Particulate MatterAir, dust & atmospheric transportPMC13177017
CEDs02661atmospheric PM2.5Air, dust & atmospheric transportPMC13177017 , PMC13177017
CEDs02662ambient PM2.5Air, dust & atmospheric transportPMC13177017
CEDs02738PaintBuilding & ConstructionPMC11194710
CEDs02801Wood PreservativesBuilding & ConstructionPMC5806603
CEDs02826Treated WoodBuilding & ConstructionPMC4441603
CEDs02928Household ProductsHousehold itemsPMC12197769
CEDs02933Indoor EnvironmentHousehold itemsPMC7329780
CEDs02956CoalEnergy, oil & gasPMC11194710
CEDs02989Fuel CellsEnergy, oil & gasPMC10855550
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC5300883 , PMC6304120
CEDs03013EffluentsWastewater, sanitation & biosolidsPMC5823849
CEDs03016Simulated WastewaterWastewater, sanitation & biosolidsPMC3511292
CEDs03017SludgeWastewater, sanitation & biosolidsPMC11295122
CEDs03025Industrial EffluentsWastewater, sanitation & biosolidsPMC13306813
CEDs03026Industrial EffluentWastewater, sanitation & biosolidsPMC11194710
CEDs03303Vehicle EmissionsAutomotive & urban infrastructurePMC13177017
CEDs03305Traffic EmissionsAutomotive & urban infrastructurePMC13177017
CEDs03346Solar CellsElectrical & Electronic EquipmentPMC12431518 , PMC10855550
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Albumin structureClick to view 3D structureAlbuminP02768HumansKnownNot Available
Vacuolar aminopeptidase 1 structureClick to view 3D structureVacuolar aminopeptidase 1P14904Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.344
Statistical Significance
3.00e-05
Supporting Reference Compounds
1
E-value
0.233548
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.565
Statistical Significance
0.0302
Supporting Reference Compounds
686
E-value
235.494
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.565
Statistical Significance
0.0524
Supporting Reference Compounds
763
E-value
408.163
Mitogen-activated protein kinase 14 structureClick to view 3D structureMitogen-activated protein kinase 14Q16539HumansPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.565
Statistical Significance
0.0574
Supporting Reference Compounds
668
E-value
446.855
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.565
Statistical Significance
0.1066
Supporting Reference Compounds
1301
E-value
829.795
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.565
Statistical Significance
0.0156
Supporting Reference Compounds
425
E-value
121.6
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.565
Statistical Significance
0.0219
Supporting Reference Compounds
391
E-value
170.334
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.565
Statistical Significance
0.0333
Supporting Reference Compounds
487
E-value
259.316
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.565
Statistical Significance
0.0257
Supporting Reference Compounds
386
E-value
200.462
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.565
Statistical Significance
0.0591
Supporting Reference Compounds
823
E-value
460.322
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.565
Statistical Significance
0.1217
Supporting Reference Compounds
1130
E-value
947.347
Receptor tyrosine-protein kinase erbB-2 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-2P04626HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.565
Statistical Significance
0.0831
Supporting Reference Compounds
674
E-value
646.849
Click to view 3D structureThromboxane-A synthaseP24557HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.565
Statistical Significance
0.0027
Supporting Reference Compounds
66
E-value
20.7857
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.565
Statistical Significance
0.0121
Supporting Reference Compounds
174
E-value
94.4311
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.565
Statistical Significance
0.0143
Supporting Reference Compounds
201
E-value
111.247
Substance-K receptor structureClick to view 3D structureSubstance-K receptorP21452HumansPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.565
Statistical Significance
0.0307
Supporting Reference Compounds
118
E-value
238.997
Click to view 3D structureCalpain-2 catalytic subunitP43367Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.565
Statistical Significance
0.0062
Supporting Reference Compounds
63
E-value
48.6558
Click to view 3D structureEnvelope glycoprotein gp160Q6QLK5Human immunodeficiency virus 1Predicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.565
Statistical Significance
0.0011
Supporting Reference Compounds
40
E-value
8.87481
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.565
Statistical Significance
0.0439
Supporting Reference Compounds
303
E-value
341.836
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.565
Statistical Significance
0.0314
Supporting Reference Compounds
205
E-value
244.836
Tyrosine-protein kinase Fyn structureClick to view 3D structureTyrosine-protein kinase FynP06241HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.565
Statistical Significance
0.2136
Supporting Reference Compounds
707
E-value
1662.94
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.565
Statistical Significance
0.1289
Supporting Reference Compounds
593
E-value
1003.17
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.565
Statistical Significance
0.0546
Supporting Reference Compounds
201
E-value
424.901
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.565
Statistical Significance
0.071
Supporting Reference Compounds
296
E-value
552.963
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.4
Statistical Significance
0.1805
Supporting Reference Compounds
532
E-value
1405.02
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0245432
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID5806
ChEBI ID132359
PubChem Compound ID6028
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available