Diisobutyl phthalate (CED0007800)

Record Information
Version1.0
Creation Date2009-12-03 20:31:27 UTC
Update Date2026-08-19 17:00:45 UTC
SynCED IDCED0007800
Secondary Accession Numbers
  • CHEM002613
  • T3D3644
Identification
Common NameDiisobutyl phthalate
ClassSmall Molecule
Description
Diisobutyl phthalate (C16H22O4) is an exogenous organic compound with an average molecular weight of 278.34 g/mol. It exists as a liquid at room temperature. Diisobutyl phthalate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. Industrially, the compound is used as a plasticizer. It is present in acrylonitrile butadiene styrene, polyurethane, ethylene-vinyl acetate, and high-density polyethylene, and it is used in low-density polyethylene. It is released in polyamide, polyethylene terephthalate, polystyrene, polyvinyl chloride, and polypropylene, though it has not been detected in polycarbonate. Sources of the compound include drinking water, indoor air, soap detergents, tobacco smoke filters, and various building and construction materials such as floors, roofs, and fencing. It is also found in food contact materials and food processing activities, including the preparation of vinegar, wine, sparkling wine, and beer fermentation processes. Additional sources include electrical and electronic equipment, such as communication cables, antennas, electrodes, and conductors. Exposure occurs through touch, oral, and inhalation routes. Biologically, diisobutyl phthalate acts as a teratogenic agent and a PPAR modulator. Its recorded protein targets include the estrogen receptor (ESR1), cytochrome P450 1A2 (CYP1A2), nuclear receptor ROR-beta (RORB), and peroxisome proliferator-activated receptor alpha (PPARA). Health effects associated with the compound include cancer, as well as impacts on the kidney and liver (PMC8422842 ).
Contaminant Type
  • Aromatic Hydrocarbon
  • Cosmetic Toxin
  • Ester
  • Ether
  • Household Toxin
  • Industrial/Workplace Toxin
  • Metabolite
  • Organic Compound
  • Phthalate
  • Plasticizer
  • Synthetic Compound
Chemical Structure
Synonyms
ValueSource
1,2-Benzenedicarboxylic acid bis(2-methylpropyl) esterChEBI
1,2-Benzenedicarboxylic acid di(2-methylpropyl) esterChEBI
1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) esterChEBI
Bis(2-methylpropyl) phthalateChEBI
Di(i-butyl)phthalateChEBI
Di-2-methylpropyl phthalateChEBI
Di-iso-butyl phthalateChEBI
DIBPChEBI
Isobutyl phthalateChEBI
Isobutyl-O-phthalateChEBI
Phthalic acid, diisobutyl esterChEBI
1,2-Benzenedicarboxylate bis(2-methylpropyl) esterGenerator
1,2-Benzenedicarboxylate di(2-methylpropyl) esterGenerator
1,2-Benzenedicarboxylate, 1,2-bis(2-methylpropyl) esterGenerator
Bis(2-methylpropyl) phthalic acidGenerator
Di(i-butyl)phthalic acidGenerator
Di-2-methylpropyl phthalic acidGenerator
Di-iso-butyl phthalic acidGenerator
Isobutyl phthalic acidGenerator
Isobutyl-O-phthalic acidGenerator
Phthalate, diisobutyl esterGenerator
Diisobutyl phthalic acidGenerator
1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) esterHMDB
1,2-Benzenedicarboxylic acid, di(2-methylpropyl) esterHMDB
Diisobutyl phthalate (acd/name 4.0)HMDB
Diisobutylester kyseliny ftaloveHMDB
Hexaplas m/1bHMDB
Kodaflex dibpHMDB
Di-(2-methylpropyl)-phthalic acidHMDB
Chemical FormulaC16H22O4
Average Molecular Mass278.344 g/mol
Monoisotopic Mass278.152 g/mol
CAS Registry Number84-69-5
IUPAC Name1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate
Traditional Namediisobutyl phthalate
SMILESCC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
InChI IdentifierInChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
InChI KeyMGWAVDBGNNKXQV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentBenzoic acid esters
Alternative Parents
Substituents
  • Benzoate ester
  • Benzoyl
  • Dicarboxylic acid or derivatives
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
Applications
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateLiquid
AppearanceColorless liquid.
Experimental Properties
PropertyValue
Melting Point< 25°C
Boiling Point320 °C
Solubility0.0062 mg/mL at 24°C
Predicted Properties
PropertyValueSource
Water Solubility0.019 g/LALOGPS
logP3.98ALOGPS
logP4.47ChemAxon
logS-4.2ALOGPS
pKa (Strongest Basic)-6.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area52.6 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity77.6 m³·mol⁻¹ChemAxon
Polarizability31.49 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-0002-2900000000-abec18892ce4da3756e0Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0002-4910000000-f91f01037e6da27fb89bNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0002-0910000000-3ed563f6a8676b13ac03Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0002-0950000000-6650563a272a276c2986Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0002-2900000000-abec18892ce4da3756e0Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0002-4910000000-f91f01037e6da27fb89bNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0002-0910000000-3ed563f6a8676b13ac03Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0002-0950000000-6650563a272a276c2986Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0a4i-5190000000-3cdee427d414b0b97469Not 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 Spectrumsplash10-0a4j-2920000000-a259b42b28bed64bb35fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-066r-4900000000-fe89b1519d0396eeeadcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002b-9800000000-b81075221fc6e8060665Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-2900000000-f6cf8e89556ba7e548f5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-4910000000-b006f036bf41476aaf6bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052b-4920000000-d5ac27f5087499ebf6ffNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4j-1900000000-9c0a0dff37933669808fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4j-2900000000-2dfca5014fcf109f03edNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4j-2900000000-c3375f5918c308c461ceNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052b-2910000000-cb35fe1c0bce4c9e7233Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4j-1900000000-8ddb46ee566aac676de9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a6r-6090000000-3922a463577bdefc01fbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9130000000-c092263dab19ba039666Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9300000000-58a47be1f5ce3c753e35Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-1090000000-c6c63d84e32a57928a03Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00b9-2490000000-2038c67ef03d4059d4abNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-5910000000-107418e7a1be51abc14cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-95d4efbe59d9e89a80aaNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00b9-0960000000-a314d50d660b210ec028Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00fr-3900000000-7c951a251ddbba9bbdffNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a6r-0290000000-6399bc22b0dbd3431dbeNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052b-1930000000-a64f6ab167b9b42bc035Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4l-7910000000-99d19de0de10b8aa156dNot AvailableView Spectrum
MSMS Spectrumsplash10-0002-5910000000-eb47d6296ed23011b3fcNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
15000.0 mg/kg RatLD50OralexperimentalNot Available5
10.0 g/kg Guinea pigLD50DermalexperimentalNot Available5
3749.0 mg/kg RatLD50IntraperitonealexperimentalNot Available5
6638.0 Log mg/kg [3700:12000]RatLD50oralpredictedNot AvailableNot Available
2.0 % diet RatNOELoralexperimentalNot AvailableECOTOX - EPA ORD
2.0 % diet RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityPhthalate esters are endocrine disruptors. They decrease foetal testis testosterone production and reduce the expression of steroidogenic genes by decreasing mRNA expression. Some phthalates have also been shown to reduce the expression of insulin-like peptide 3 (insl3), an important hormone secreted by the Leydig cell necessary for development of the gubernacular ligament. Animal studies have shown that these effects disrupt reproductive development and can cause a number of malformations in affected young. (2)
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Minimum Risk LevelNot Available
SymptomsPhthalate esters are endocrine disruptors and can cause a number of developmental malformations termed 'phthalate syndrome'. (2)
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
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.PMC8422842
kidneyAssociated With?Not AvailableNot AvailablePMC8422842
nauseaAssociated With?increaseA disorder characterized by a queasy sensation and/or the urge to vomit. (NCI CTCAE)PMC12077660
nauseaAssociated With?Not AvailableA disorder characterized by a queasy sensation and/or the urge to vomit. (NCI CTCAE)PMC12077660
liverAssociated With?Not AvailableNot AvailablePMC8422842
dermatitisAssociated With?positiveNot AvailablePMC6066334
Premature birthAssociated With?positiveNot AvailablePMC13137453
Premature birthAssociated With?increaseNot AvailablePMC7437820
Premature birthAssociated With?decreaseNot AvailablePMC12096275
Reproductive HealthAssociated With?Not AvailableNot AvailablePMC13421982
Motor SkillsAssociated With?inverseNot AvailablePMC8453372
IrritantsAssociated With?Not AvailableNot AvailablePMC12662857
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 managementPMC3991724 , PMC3991724
CEDs000018Indoor dust?Indoor dust is a complex mixture of particles that accumulates in indoor environments, consisting of materials such as skin flakes, hair, textile fibers, and particles from outdoor sources.Air, dust & atmospheric transportPMC13320163
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 transportPMC3471318 , PMC2291011
CEDs000020Outdoor dust?Outdoor dust can serve as a significant vector for synthetic chemical contamination in the environment.Air, dust & atmospheric transportPMC13320163
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC12390238 , PMC6122030
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
CEDs000164Toys?Toys can be a source of synthetic chemical contamination due to the materials and additives used in their production.Household itemsPMC5996240 , PMC10544567
CEDs000222Lotions?Lotions are emulsified formulations primarily composed of water, oils, and various active ingredients designed for skin hydration and protection.Personal care & cosmeticsPMC5003714
CEDs000225Nail polish?Nail polish is a cosmetic product that typically contains a mixture of synthetic chemicals, including solvents, resins, plasticizers, and colorants.Personal care & cosmeticsPMC6000948 , PMC6066334
CEDs000226Fragrances?Fragrances are complex mixtures of aromatic compounds used to impart pleasant scents to various products.Personal care & cosmeticsPMC10895762
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
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsPMC10210534
CEDs000442Artificial Turf?Artificial turf is a synthetic surface made primarily from polyethylene or polypropylene fibers designed to mimic natural grass.Recreation & sports surfacesPMC11653453
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
CEDs000497Floors?Floors in built environments can be a significant source of synthetic chemical contamination due to the materials and finishes used in their construction.Building & ConstructionPubChem
CEDs000499Roofs?Roofs can be a significant source of synthetic chemical contamination due to the materials used in their construction and maintenance.Building & ConstructionPubChem
CEDs000501Sunshades Awnings Or Outside Screens?Sunshades, awnings, and outside screens are often constructed using synthetic materials such as polyvinyl chloride (PVC), polyester, or acrylic fabrics.Building & ConstructionPubChem
CEDs000502Sunshades Awnings Or Outside Screens?Sunshades, awnings, and outside screens are commonly used in construction to enhance energy efficiency and provide shade.Building & ConstructionPubChem
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
CEDs000507Auxiliary Devices?Auxiliary devices, such as capacitors, transformers, and circuit breakers, are integral components in various electronic systems.Electrical & Electronic EquipmentPubChem
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
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
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.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
CEDs000548Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.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
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
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
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
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingPubChem
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
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.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
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
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.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
CEDs000619Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.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
CEDs000635Buttons?Buttons, often made from synthetic materials such as polyester, nylon, or polycarbonate, can be a source of synthetic chemical contamination during their production, use, and disposal.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
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.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
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
CEDs000653Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.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
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
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
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
CEDs000698Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.Mining & metal processingPubChem
CEDs000711Coloured Pencils?Coloured pencils are commonly used tools for artistic expression and education, composed primarily of a wood casing and a core made from a mixture of pigments, binders, and waxes.Paper, pulp & fiber productsPubChem
CEDs000714Embossing Machines?Embossing machines are industrial devices used to create raised patterns or designs on materials, including paper and fiber products.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
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber 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
CEDs000736Fuses?Fuses are safety devices designed to protect electrical circuits by breaking the circuit when excessive current flows through.Electrical & Electronic EquipmentPubChem
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, PMC11269091
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 managementPMC9367859 , PMC13117638
CEDs00766Soil SamplesAgriculture & land managementPMC3759732
CEDs00773CropAgriculture & land managementPMC4995490
CEDs01082PharmaceuticalsHealthcare, pharmaceuticals & veterinary productsPMC10895762 , PMC11780690
CEDs01144FoodFood, food processing & cookwarePMC7084514 , PMC11503776
CEDs01157FoodsFood, food processing & cookwarePMC9119856 , PMC3471318
CEDs01168Food ProductsFood, food processing & cookwarePMC4570864 , PMC7201063
CEDs01171MeatFood, food processing & cookwarePMC11503776
CEDs01172MeatsFood, food processing & cookwarePMC6347530
CEDs01178DairyFood, food processing & cookwarePMC6347530
CEDs01214BeersFood, food processing & cookwarePMC10534124
CEDs01276Food SamplesFood, food processing & cookwarePMC9119856 , PMC4570864
CEDs01290Green Tea InfusionFood, food processing & cookwarePMC5670142
CEDs01428Edible OilsFood, food processing & cookwarePMC10343933
CEDs01508Olive OilsFood, food processing & cookwarePMC11945544 , PMC13013880
CEDs01569Infant FoodsFood, food processing & cookwarePMC3385451
CEDs01689Tea InfusionFood, food processing & cookwarePMC5670142
CEDs01796Food ContainersPackagingPMC3861438
CEDs01797PackagingPackagingPMC10534124
CEDs01801Food PackagingPackagingPMC4078574
CEDs01804Glass BottlePackagingPMC10534124
CEDs01807PET bottlesPackagingPMC8588110
CEDs01809Packaging MaterialsPackagingPMC10895762
CEDs01821Food Packaging MaterialsPackagingPMC9232940
CEDs01826Glass BottlesPackagingPMC10534124
CEDs01830Packaging MaterialPackagingPMC10995151
CEDs01861Cling FilmPackagingPMC11765467
CEDs01867Bottle CapsPackagingPMC11765467
CEDs01886PlasticIndustrial manufacturing & chemical processingPMC11780690
CEDs01902Plastic ProductsIndustrial manufacturing & chemical processingPMC13320163
CEDs01933Plastic FilmIndustrial manufacturing & chemical processingPMC9367859
CEDs02052Flexible PlasticsIndustrial manufacturing & chemical processingPMC13009073
CEDs02254PET-bottled waterDrinking water & water supplyPMC2854718
CEDs02255WaterAquatic systems & sedimentsPMC5397889 , PMC11901468
CEDs02261Sea WaterAquatic systems & sedimentsPMC10328224 , PMC10328224
CEDs02268Water SamplesAquatic systems & sedimentsPMC10328224 , PMC10328224
CEDs02589AirAir, dust & atmospheric transportPMC9876422 , PMC9876422
CEDs02590DustAir, dust & atmospheric transportPMC8374174 , PMC1247566
CEDs02592PM2.5Air, dust & atmospheric transportPMC9859432 , PMC12090013
CEDs02593House DustAir, dust & atmospheric transportPMC9502751
CEDs02605Particulate MatterAir, dust & atmospheric transportPMC13320163 , PMC13320163
CEDs02629PM10Air, dust & atmospheric transportPMC12090013 , PMC12090013
CEDs02686Floor DustAir, dust & atmospheric transportPMC9696275
CEDs02738PaintBuilding & ConstructionPMC9696275 , PMC9937064
CEDs02739GlueBuilding & ConstructionPMC9696275 , PMC13009073
CEDs02748Building MaterialsBuilding & ConstructionPMC13320163
CEDs02764LacquerBuilding & ConstructionPMC6066334
CEDs02788Vinyl FlooringBuilding & ConstructionPMC3861438
CEDs02845CosmeticsPersonal care & cosmeticsPMC5996240 , PMC13013880
CEDs02847Personal Care ProductsPersonal care & cosmeticsPMC4959782 , PMC13013880
CEDs02860PerfumesPersonal care & cosmeticsPMC5003714
CEDs02865Personal CarePersonal care & cosmeticsPMC4078574
CEDs02869Personal Care and Household ProductsPersonal care & cosmeticsPMC13421982
CEDs02925Indoor EnvironmentsHousehold itemsPMC10895762
CEDs02928Household ProductsHousehold itemsPMC4078574
CEDs02929Plastic ToysHousehold itemsPMC11765467
CEDs02931KitchensHousehold itemsPMC7399806
CEDs02937Home DustHousehold itemsPMC2901120
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC11943828
CEDs03169Consumer ProductsHousehold cleaning & consumer productsPMC8836309 , PMC6000948
CEDs03189Industrial and Consumer ProductsHousehold cleaning & consumer productsPMC9884094
CEDs03202MattressesTextiles, leather & furnishingsPMC12044681
CEDs03226FurnitureTextiles, leather & furnishingsPMC13320163
CEDs03284TyresAutomotive & urban infrastructurePMC12157022
CEDs03298Brake PadsAutomotive & urban infrastructurePMC12157022
CEDs03325Car InteriorsAutomotive & urban infrastructurePMC9884094
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansKnownNot Available
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansKnownNot Available
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansKnownNot Available
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.347
Applicability Domain
0.59
Statistical Significance
0.0054
Supporting Reference Compounds
425
E-value
42.35
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.319
Statistical Significance
0.0093
Supporting Reference Compounds
296
E-value
72.789
Click to view 3D structurePeptidyl-glycine alpha-amidating monooxygenaseP19021HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.295 Low confidence
Statistical Significance
0.0057
Supporting Reference Compounds
1
E-value
44.7633
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.319
Statistical Significance
0.0102
Supporting Reference Compounds
166
E-value
79.4062
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.3
Statistical Significance
0.0109
Supporting Reference Compounds
226
E-value
84.7
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.3
Statistical Significance
0.0109
Supporting Reference Compounds
227
E-value
84.7
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.392
Statistical Significance
0.0903
Supporting Reference Compounds
793
E-value
703.29
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.36
Statistical Significance
0.0254
Supporting Reference Compounds
343
E-value
197.971
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.313
Statistical Significance
0.0398
Supporting Reference Compounds
332
E-value
309.529
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.333
Statistical Significance
0.0139
Supporting Reference Compounds
136
E-value
108.6
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.333
Statistical Significance
0.0229
Supporting Reference Compounds
201
E-value
178.353
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.313
Statistical Significance
0.0616
Supporting Reference Compounds
472
E-value
479.24
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.333
Statistical Significance
0.01
Supporting Reference Compounds
106
E-value
77.6157
Click to view 3D structureBeta-2 adrenergic receptorQ8K4Z4Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.3
Statistical Significance
0.0032
Supporting Reference Compounds
48
E-value
24.7561
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.3
Statistical Significance
0.036
Supporting Reference Compounds
167
E-value
279.946
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.313
Statistical Significance
0.0571
Supporting Reference Compounds
407
E-value
444.908
Click to view 3D structureProstaglandin G/H synthase 2P79208Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.333
Statistical Significance
0.0046
Supporting Reference Compounds
50
E-value
35.7328
Nicotinate phosphoribosyltransferase structureClick to view 3D structureNicotinate phosphoribosyltransferaseQ6XQN6HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.333
Statistical Significance
0.0011
Supporting Reference Compounds
12
E-value
8.40772
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.294 Low confidence
Statistical Significance
0.1889
Supporting Reference Compounds
1130
E-value
1470.49
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.306
Statistical Significance
0.0572
Supporting Reference Compounds
372
E-value
445.142
Click to view 3D structureBeta-1 adrenergic receptorB0FL73Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.298 Low confidence
Statistical Significance
0.0031
Supporting Reference Compounds
37
E-value
24.3668
Calpain-2 catalytic subunit structureClick to view 3D structureCalpain-2 catalytic subunitP17655HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0138
Supporting Reference Compounds
17
E-value
107.198
Calpain-1 catalytic subunit structureClick to view 3D structureCalpain-1 catalytic subunitP07384HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.294 Low confidence
Statistical Significance
0.018
Supporting Reference Compounds
47
E-value
140.284
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0401
Supporting Reference Compounds
173
E-value
312.175
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.302
Statistical Significance
0.0573
Supporting Reference Compounds
385
E-value
445.92
Myeloperoxidase structureClick to view 3D structureMyeloperoxidaseP05164HumansKnownNot Available
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansKnownNot Available
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansKnownNot Available
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansKnownNot Available
Click to view 3D structureNuclear receptor ROR-betaQ92753HumansKnownNot Available
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansKnownNot Available
Concentrations
StatusValueUnitSample LocationReference
External Links
DrugBank IDNot Available
HMDB IDHMDB0013835
FooDB IDFDB004315
Phenol Explorer IDNot Available
KNApSAcK IDC00055801
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkDiisobutyl_phthalate
Chemspider ID6524
ChEBI ID79053
PubChem Compound ID6782
Kegg Compound IDC15205
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
  1. Kolhouse JF, Utley C, Stabler SP, Allen RH: Mechanism of conversion of human apo- to holomethionine synthase by various forms of cobalamin. J Biol Chem. 1991 Dec 5;266(34):23010-5. [PubMed: 1744096]
  2. Wilson VS, Blystone CR, Hotchkiss AK, Rider CV, Gray LE Jr: Diverse mechanisms of anti-androgen action: impact on male rat reproductive tract development. Int J Androl. 2008 Apr;31(2):178-87. doi: 10.1111/j.1365-2605.2007.00861.x. [PubMed: 18315717]
  3. Wittassek M, Angerer J: Phthalates: metabolism and exposure. Int J Androl. 2008 Apr;31(2):131-8. Epub 2007 Dec 7. [PubMed: 18070048]
  4. Wikipedia. Phthalate. Last Updated 22 November 2009. - http://en.wikipedia.org/wiki/Phthalate
  5. Lewis RJ Sr. (ed) (2004). Sax's Dangerous Properties of Industrial Materials. 11th Edition. Hoboken, NJ: Wiley-Interscience, Wiley & Sons, Inc.
  6. Wikipedia. Diisobutyl phthalate. Last Updated 25 September 2009.