Chrysene (CED0004687)

Record Information
Version1.0
Creation Date2009-03-06 18:58:09 UTC
Update Date2026-03-31 19:21:31 UTC
SynCED IDCED0004687
Secondary Accession Numbers
  • CHEM000127
  • T3D0137
Identification
Common NameChrysene
ClassSmall Molecule
Description
Chrysene is an exogenous organic compound with the formula C18H12 and an average molecular weight of 228.29 g/mol. It exists as a solid at room temperature. Chrysene belongs to the chrysenes, a subclass of phenanthrenes and derivatives within the organic compounds. The compound is found in or released from 32 recorded sources, including indoor air, drinking water, and fencing. Other sources include food preservation, food contact materials, and household cleaning and consumer products such as bleaching agents, pipe accessories, cigar cigarettes, other smoking requisites, and non-electric simulated smoking devices. It is also associated with electrical and electronic equipment, including antennas, amplifiers, coils, conductors or conductive bodies characterised by the conductive materials, and cores yokes or armatures. Recorded exposure routes include oral, touch, and inhalation. Regarding plastics, chrysene is used in polycarbonate, polyurethane, polyamide, polyvinyl chloride, polystyrene, expanded polystyrene, polypropylene, high-density polyethylene, low-density polyethylene, and acrylonitrile butadiene styrene. It is present in high impact polystyrene and released in polyethylene terephthalate, while results for superabsorbent polymer are inconclusive. Chrysene has four recorded protein targets: the aryl hydrocarbon receptor (AHR), glycine N-methyltransferase (GNMT), hypoxanthine-guanine phosphoribosyltransferase (HPRT1), and the androgen receptor (AR). By binding to the glycine N-methyltransferase protein or the aryl hydrocarbon receptor, many PAHs induce the expression of cytochrome P450 enzymes, specifically CYP1B1, CYP1A2, and CYP1A1. These enzymes metabolize PAHs into toxic intermediates. The resulting reactive metabolites, including phenols, quinones, dihydrodiols, epoxide intermediates, and various combinations thereof, covalently bind to other cellular macromolecules and DNA, initiating carcinogenesis and mutagenesis.
Contaminant Type
  • Aromatic Hydrocarbon
  • Food Toxin
  • Industrial By-product/Pollutant
  • Industrial/Workplace Toxin
  • Natural Compound
  • Organic Compound
  • Pollutant
  • Polycyclic Aromatic Hydrocarbon
Chemical Structure
Synonyms
ValueSource
1,2,5,6-DibenzonaphthaleneChEBI
1,2-BenzophenanthreneChEBI
Benz[a]phenanthreneChEBI
Benzo[a]phenanthreneChEBI
ChrysenChEBI
Chemical FormulaC18H12
Average Molecular Mass228.288 g/mol
Monoisotopic Mass228.094 g/mol
CAS Registry Number218-01-9
IUPAC Namechrysene
Traditional Namechrysene
SMILESC1=CC=C2C(C=CC3=C2C=CC2=CC=CC=C32)=C1
InChI IdentifierInChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
InChI KeyWDECIBYCCFPHNR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as chrysenes. Chrysenes are compounds containing the polyaromatic chrysene moiety, which consists of a benzene ring fused to a phenanthrene ring system to form Benzo[a]phenanthrene.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenanthrenes and derivatives
Sub ClassChrysenes
Direct ParentChrysenes
Alternative Parents
Substituents
  • Chrysene
  • Naphthalene
  • Aromatic hydrocarbon
  • Polycyclic hydrocarbon
  • Unsaturated hydrocarbon
  • Hydrocarbon
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
  • carcinogenic agent (PMC6236541 , PMC6121320 )?A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
  • genotoxin (PMC7014154 )?A chemical substance that alters the genetic material of an organism,directly or indirectly
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateSolid
AppearanceColorless solid.
Experimental Properties
PropertyValue
Melting Point258.2°C
Boiling PointNot Available
Solubility2e-06 mg/mL at 25 °C [MILLER,MM et al. (1985)]
Predicted Properties
PropertyValueSource
Water Solubility5.0e-06 g/LALOGPS
logP5.71ALOGPS
logP4.94ChemAxon
logS-7.7ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity75.41 m³·mol⁻¹ChemAxon
Polarizability26.55 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-004i-0190000000-feb74c065b2ddee5d227Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-b7159ca7c08c3b71bd95Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-d6a81f78e33eddf5f623Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0fb9-0090000000-0ac1df0c431c6c822036Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-3a53674e8156110b1bedNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-3a53674e8156110b1bedNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-b07df02ba42d33808729Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-1345c9a6e6eae7276959Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-1345c9a6e6eae7276959Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-96fab4943b7ee18d243fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-21ab23fa1007795bd0daNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-21ab23fa1007795bd0daNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-8062207992d5862f74bbNot AvailableView Spectrum
MSMS Spectrumsplash10-004i-0090000000-008c5314ed8ae5725e3aNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
320.0 mg/kg >320MouseLD50IntraperitonealexperimentalNot Available7
0.0 mmol MouseNOELdermalexperimentalNot AvailableECOTOX - EPA ORD
0.1 mg/org MouseNOELdermalexperimentalNot AvailableECOTOX - EPA ORD
0.5 % w/v MouseNOELdermalexperimentalNot AvailableECOTOX - EPA ORD
10.0 mg/kg-day RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
100.0 mg/kg-day RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
100.0 mg/kg-day RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
20.0 mg/kg-day RatLOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
0.21 mg MouseNOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
1.0 mg MouseLOELdermalexperimentalNot AvailableECOTOX - EPA ORD
0.0002 mmol MouseLOELdermalexperimentalNot AvailableECOTOX - EPA ORD
1.0 mg/10 g bdwt RatLOELdermalexperimentalNot AvailableECOTOX - EPA ORD
200.0 mg/kg-day MouseLOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
0.05 mg/org MouseLOELdermalexperimentalNot AvailableECOTOX - EPA ORD
0.0014 mmol MouseLOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
0.0014 mmol MouseNOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityThe ability of PAH's to bind to blood proteins such as albumin allows them to be transported throughout the body. Many PAH's induce the expression of cytochrome P450 enzymes, especially CYP1A1, CYP1A2, and CYP1B1, by binding to the aryl hydrocarbon receptor or glycine N-methyltransferase protein. These enzymes metabolize PAH's into their toxic intermediates. The reactive metabolites of PAHs (epoxide intermediates, dihydrodiols, phenols, quinones, and their various combinations) covalently bind to DNA and other cellular macromolecules, initiating mutagenesis and carcinogenesis. (4, 5, 2, 3)
Carcinogenicity (IARC Classification)2B, possibly carcinogenic to humans. (6)
Minimum Risk LevelNot Available
SymptomsAcute exposure to PAHs causes irritation and inflammation of the skin and lung tissue. (1)
TreatmentThere is no known antidote for PAHs. Exposure is usually handled with symptomatic treatment. (4)
Health Effects
Health EffectRelationshipDirectionDescriptionReference
inflammationHas Therapeutic Effect OnNot AvailableNot AvailablePMC12057202
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.PMC12384513 , PMC3237364
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
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 managementPMC6236541 , PMC12316782
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
CEDs000049River sediment?River sediment can serve as a significant reservoir for synthetic chemical contaminants, which may originate from various anthropogenic activities.Aquatic systems & sedimentsPMC5823782
CEDs000050Groundwater?Groundwater serves as a vital resource for drinking water and agricultural irrigation but is increasingly susceptible to contamination from synthetic chemicals.Aquatic systems & sedimentsPMC13417692 , PMC11413203
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC9331822
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 supplyPMC5018275
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
CEDs000464Leachate?Leachate is a liquid that forms when water percolates through waste material, dissolving soluble compounds and carrying various contaminants.Waste management, landfill & incinerationPMC11178100
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
CEDs000496Fencing?Fencing materials, particularly those used in construction and landscaping, can be a source of synthetic chemical contamination due to the treatments and coatings applied for durability and weather resistance.Building & ConstructionPubChem
CEDs000505Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.Electrical & Electronic EquipmentPubChem
CEDs000506Antennas?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 EquipmentPubChem
CEDs000508Coils?Coils are components used in various electrical and electronic applications, such as transformers, inductors, and motors.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
CEDs000513Cores Yokes Or Armatures?Cores, yokes, or armatures are components commonly found in electrical devices, used to facilitate the magnetic and electrical functions within motors, transformers, and generators.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
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.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
CEDs000523Gas Filled Discharge Tubes With Solid Cathode?Gas Filled Discharge Tubes with Solid Cathodes are electrical components that facilitate the flow of current by ionizing gas within a sealed tube.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
CEDs000525Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.Electrical & Electronic EquipmentPubChem
CEDs000532Selectors?Selectors are components used in various electronic devices to control the flow of electrical signals.Electrical & Electronic EquipmentPubChem
CEDs000534Still Video Cameras?Still video cameras, which capture images in digital format, can be a source of synthetic chemical contamination due to the materials and components used in their production and operation.Electrical & Electronic EquipmentPubChem
CEDs000535Superconducting Magnets And Superconducting Coils?Superconducting magnets and coils are utilized in various applications that require strong magnetic fields, such as magnetic resonance imaging (MRI) and particle accelerators.Electrical & Electronic EquipmentPubChem
CEDs000536Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines?Superconductive or hyperconductive conductors, including cables and transmission lines, are materials that exhibit zero electrical resistance under specific conditions, typically at low temperatures.Electrical & Electronic EquipmentPubChem
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
CEDs000538Thin Magnetic Films?Thin magnetic films are layers of magnetic material ranging from a few nanometers to several micrometers in thickness, commonly used in applications such as magnetic sensors, data storage devices, and electronic components.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
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
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.Household cleaning & consumer productsPubChem
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.Household cleaning & consumer productsPubChem
CEDs000562Pipe Accessories?Pipe accessories, such as fittings, connectors, and seals, are components used in plumbing systems to facilitate the flow of liquids and gases.Household cleaning & consumer productsPubChem
CEDs000566Tobacco Pipes?Tobacco pipes, often made from materials such as plastic, wood, or metal, can serve as sources of synthetic chemical contamination due to the residues left by tobacco products.Household cleaning & consumer productsPubChem
CEDs000567Tobacco Product Cases?Tobacco product cases can serve as a source of synthetic chemical contamination due to the presence of various additives and chemicals used in tobacco processing and product manufacturing.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
CEDs000578Making Cigars?The process of making cigars involves several steps, including the cultivation of tobacco, fermentation, and the application of various additives to enhance flavor and preservation.Industrial manufacturing & chemical processingPubChem
CEDs000579Manufacture Of Iron Or Steel?The manufacture of iron or steel involves various processes, including smelting, refining, and alloying, which can result in the release of synthetic chemicals and contaminants.Industrial manufacturing & chemical processingPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.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
CEDs000607Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.Agriculture & land managementPubChem
CEDs000608Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.Agriculture & land managementPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
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
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.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
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000638Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.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
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
CEDs000658Touch Fasteners?Touch fasteners, commonly known as hook-and-loop fasteners, are composed of synthetic materials such as nylon or polyester.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
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
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
CEDs000691Non Oxide Glass?Non-oxide glass refers to a category of glasses primarily composed of materials other than silicon dioxide, such as boron oxide or phosphorous oxide.Building & ConstructionPubChem
CEDs000692Silica Free Oxide Glass?Silica Free Oxide Glass is a type of glass that is produced using alternative materials to traditional silica-based formulations.Building & ConstructionPubChem
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.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
CEDs000712Combination Pens?Combination pens, which typically contain both ink and additional functionalities such as highlighters or stylus tips, may contribute to synthetic chemical contamination primarily through their ink formulations and plastic components.Paper, pulp & fiber productsPubChem
CEDs000716Erasers?Erasers, commonly used in writing and drawing applications, are often made from synthetic rubber or thermoplastic materials, which can contain various additives such as plasticizers, fillers, and colorants.Paper, pulp & fiber productsPubChem
CEDs000726Pens?Pens, commonly utilized for writing and marking, can be a source of synthetic chemical contamination primarily due to the materials used in their manufacturing.Paper, pulp & fiber productsPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000733Walking Sticks?Walking sticks, while primarily designed for mobility assistance, can be sources of synthetic chemical contamination if not properly manufactured or maintained.Healthcare, pharmaceuticals & veterinary productsPubChem
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
CEDs00753Agricultural SoilAgriculture & land managementPMC12657677
CEDs00756BarleyAgriculture & land managementPMC9913933
CEDs00760Contaminated SoilAgriculture & land managementPMC12316782
CEDs00800Soybean OilAgriculture & land managementPMC13415271
CEDs00874Residential SoilsAgriculture & land managementPMC13455759 , PMC13455759
CEDs00914Rhizosphere SoilsAgriculture & land managementPMC4505310
CEDs00982Residential SoilAgriculture & land managementPMC13455759 , PMC13455759
CEDs01050Corn GrainsAgriculture & land managementPMC9913933
CEDs01144FoodFood, food processing & cookwarePMC12568959 , PMC12568959
CEDs01148MilkFood, food processing & cookwarePMC10138093 , PMC7359620
CEDs01157FoodsFood, food processing & cookwarePMC8199595
CEDs01168Food ProductsFood, food processing & cookwarePMC8308760
CEDs01185Apple JuiceFood, food processing & cookwarePMC8199595
CEDs01198HoneyFood, food processing & cookwarePMC7764946 , PMC7764946
CEDs01240Food SupplementFood, food processing & cookwarePMC10459292
CEDs01276Food SamplesFood, food processing & cookwarePMC4673601
CEDs01334Cereal ProductsFood, food processing & cookwarePMC10486470
CEDs01390ShellfishFood, food processing & cookwarePMC11544809
CEDs01414Seasoning Flour ProductsFood, food processing & cookwarePMC9859540
CEDs01464Cow MilkFood, food processing & cookwarePMC9742910
CEDs01925Rubber GranulesIndustrial manufacturing & chemical processingPMC9035180
CEDs02255WaterAquatic systems & sedimentsPMC6702189 , PMC3640504
CEDs02264SedimentAquatic systems & sedimentsPMC12316782 , PMC6702189
CEDs02278Sediment SurfaceAquatic systems & sedimentsPMC3070886
CEDs02285AquiferAquatic systems & sedimentsPMC13417692
CEDs02291Sediment SamplesAquatic systems & sedimentsPMC6702189
CEDs02331Marine WatersAquatic systems & sedimentsPMC6702189
CEDs02450Sediment CoreAquatic systems & sedimentsPMC3070886
CEDs02558Ditch WetlandsAquatic systems & sedimentsPMC6651651
CEDs02559Riverine WetlandsAquatic systems & sedimentsPMC6651651
CEDs02589AirAir, dust & atmospheric transportPMC5614912 , PMC10720387
CEDs02590DustAir, dust & atmospheric transportPMC12985584
CEDs02592PM2.5Air, dust & atmospheric transportPMC13307656
CEDs02605Particulate MatterAir, dust & atmospheric transportPMC12197016
CEDs02629PM10Air, dust & atmospheric transportPMC12197016
CEDs02635Dust SampleAir, dust & atmospheric transportPMC11369469
CEDs02645Air MassesAir, dust & atmospheric transportPMC4145841
CEDs02954Fossil FuelsEnergy, oil & gasPMC6236541
CEDs02956CoalEnergy, oil & gasPMC12222955
CEDs02961Crude OilEnergy, oil & gasPMC9962790 , PMC6882808
CEDs02962Coal TarEnergy, oil & gasPMC13121128 , PMC2804567
CEDs02964Fuel OilEnergy, oil & gasPMC12316782
CEDs02976Diesel ExhaustEnergy, oil & gasPMC8941851 , PMC9331822
CEDs02982Diesel EmissionsEnergy, oil & gasPMC8941851
CEDs02988Petroleum-contaminated SoilsEnergy, oil & gasPMC6121320
CEDs03078Oily SludgeWastewater, sanitation & biosolidsPMC12316782
CEDs03205CottonTextiles, leather & furnishingsPMC11369469
CEDs03289StormwaterAutomotive & urban infrastructurePMC9878729
CEDs03294Runoff WaterAutomotive & urban infrastructurePMC3252016
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Twist-related protein 1 structureClick to view 3D structureTwist-related protein 1Q15672HumansKnownNot Available
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.447
Applicability Domain
0.5
Statistical Significance
0.0047
Supporting Reference Compounds
793
E-value
36.9784
Click to view 3D structureTrans-cinnamate 4-monooxygenaseQ04468Helianthus tuberosusPredicted (SEA)
Prediction Confidence Score
0.407
Applicability Domain
0.407
Statistical Significance
8.00e-05
Supporting Reference Compounds
1
E-value
0.622794
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abK9N7C7Middle East respiratory syndrome-related coronavirus (isolate United Kingdom/H123990006/2012)Predicted (SEA)
Prediction Confidence Score
0.368
Applicability Domain
0.636
Statistical Significance
5.00e-05
Supporting Reference Compounds
48
E-value
0.389246
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.481
Statistical Significance
0.0029
Supporting Reference Compounds
88
E-value
22.9655
Cytochrome P450 1A1 structureClick to view 3D structureCytochrome P450 1A1P04798HumansPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.481
Statistical Significance
0.0023
Supporting Reference Compounds
77
E-value
17.8275
Aryl hydrocarbon receptor structureClick to view 3D structureAryl hydrocarbon receptorP35869HumansPredicted (SEA)
Prediction Confidence Score
0.353
Applicability Domain
0.5
Statistical Significance
9.00e-05
Supporting Reference Compounds
42
E-value
0.700643
DNA-dependent protein kinase catalytic subunit structureClick to view 3D structureDNA-dependent protein kinase catalytic subunitP78527HumansPredicted (SEA)
Prediction Confidence Score
0.332
Applicability Domain
0.364
Statistical Significance
0.0081
Supporting Reference Compounds
219
E-value
62.7465
Click to view 3D structureCarboxylic ester hydrolaseA0A286ZKB1Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.364
Statistical Significance
3.00e-04
Supporting Reference Compounds
9
E-value
2.33548
Broad substrate specificity ATP-binding cassette transporter ABCG2 structureClick to view 3D structureBroad substrate specificity ATP-binding cassette transporter ABCG2Q9UNQ0HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.364
Statistical Significance
0.0132
Supporting Reference Compounds
126
E-value
102.605
Click to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP12527Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.313
Applicability Domain
0.476
Statistical Significance
0.0047
Supporting Reference Compounds
78
E-value
36.9784
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.406
Statistical Significance
0.126
Supporting Reference Compounds
1538
E-value
980.745
Click to view 3D structureSecernin-3Q0VDG4HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.308
Statistical Significance
2.80e-04
Supporting Reference Compounds
1
E-value
2.17978
Click to view 3D structureCytochrome P450 1A2P04799Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.481
Statistical Significance
1.00e-05
Supporting Reference Compounds
7
E-value
0.0778492
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.345
Statistical Significance
0.0539
Supporting Reference Compounds
541
E-value
419.841
5-hydroxytryptamine receptor 1B structureClick to view 3D structure5-hydroxytryptamine receptor 1BP28222HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.345
Statistical Significance
0.0296
Supporting Reference Compounds
337
E-value
230.823
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.313
Statistical Significance
0.0516
Supporting Reference Compounds
472
E-value
401.78
Peptidoglycan-N-acetylglucosamine deacetylase BC_1974 structureClick to view 3D structurePeptidoglycan-N-acetylglucosamine deacetylase BC_1974Q81EJ6Bacillus cereus (strain ATCC 14579 / DSM 31 / JCM 2152 / NBRC 15305 /NCIMB 9373 / NRRL B-3711)Predicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.294 Low confidence
Statistical Significance
0.0017
Supporting Reference Compounds
1
E-value
13.2344
Interferon alpha/beta receptor 1 structureClick to view 3D structureInterferon alpha/beta receptor 1P17181HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.294 Low confidence
Statistical Significance
2.60e-04
Supporting Reference Compounds
1
E-value
2.02408
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.313
Statistical Significance
0.0453
Supporting Reference Compounds
407
E-value
353.046
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.5
Statistical Significance
0.0256
Supporting Reference Compounds
241
E-value
199.372
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.44
Statistical Significance
0.0197
Supporting Reference Compounds
215
E-value
153.285
Click to view 3D structureCytochrome P450 2A5P20852Mus musculusPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.36
Statistical Significance
3.40e-04
Supporting Reference Compounds
11
E-value
2.64687
Click to view 3D structureCytochrome P450 1A1P00185RatPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.481
Statistical Significance
1.00e-05
Supporting Reference Compounds
3
E-value
0.0778492
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.313
Statistical Significance
0.0469
Supporting Reference Compounds
332
E-value
364.801
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.31
Statistical Significance
0.0054
Supporting Reference Compounds
104
E-value
42.0386
Aryl hydrocarbon receptor structureClick to view 3D structureAryl hydrocarbon receptorP35869HumansKnownNot Available
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansKnownNot Available
Aryl hydrocarbon receptor structureClick to view 3D structureAryl hydrocarbon receptorP35869HumansKnownMany PAH's induce the expression of cytochrome P450 enzymes, especially CYP1A1, CYP1A2, and CYP1B1, by binding to the aryl hydrocarbon receptor or glycine N-methyltransferase protein. These enzymes metabolize PAH's into their toxic intermediates. The reactive metabolites of PAHs (epoxide intermediates, dihydrodiols, phenols, quinones, and their various combinations) covalently bind to DNA and other cellular macromolecules, initiating mutagenesis and carcinogenesis. (L10, L23, A27, A32)
Glycine N-methyltransferase structureClick to view 3D structureGlycine N-methyltransferaseQ14749HumansKnownMany PAH's induce the expression of cytochrome P450 enzymes, especially CYP1A1, CYP1A2, and CYP1B1, by binding to the aryl hydrocarbon receptor or glycine N-methyltransferase protein. These enzymes metabolize PAH's into their toxic intermediates. The reactive metabolites of PAHs (epoxide intermediates, dihydrodiols, phenols, quinones, and their various combinations) covalently bind to DNA and other cellular macromolecules, initiating mutagenesis and carcinogenesis. (L10, L23, A27, A32)
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansKnownNot Available
Hypoxanthine-guanine phosphoribosyltransferase structureClick to view 3D structureHypoxanthine-guanine phosphoribosyltransferaseP00492HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0250216
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDCPD-13772
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkChrysene
Chemspider ID8817
ChEBI ID51687
PubChem Compound ID9171
Kegg Compound IDC14222
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
  1. Santodonato J, Howard P, Basu D: Health and ecological assessment of polynuclear aromatic hydrocarbons. J Environ Pathol Toxicol. 1981 Sep;5(1):1-364. [PubMed: 7310260]
  2. Uno S, Dragin N, Miller ML, Dalton TP, Gonzalez FJ, Nebert DW: Basal and inducible CYP1 mRNA quantitation and protein localization throughout the mouse gastrointestinal tract. Free Radic Biol Med. 2008 Feb 15;44(4):570-83. Epub 2007 Nov 12. [PubMed: 17997381]
  3. Padros J, Pelletier E: In vivo formation of (+)-anti-benzo[a]pyrene diol-epoxide-plasma albumin adducts in fish. Mar Environ Res. 2000 Jul-Dec;50(1-5):347-51. [PubMed: 11460716]
  4. ATSDR - Agency for Toxic Substances and Disease Registry (1995). Toxicological profile for PAHs. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). - http://www.atsdr.cdc.gov/toxprofiles/tp69.html
  5. Wikipedia. Benzopyrene. Last Updated 22 January 2009. - http://en.wikipedia.org/wiki/Benzopyrene
  6. International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. - http://monographs.iarc.fr/index.php
  7. IARC (1983). Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Man. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-Present. (Multivolume work).