2-[(2-Methyl-1-oxoallyl)oxy]ethyl 1,3-dihydro-1,3-dioxoisobenzofuran-5-carboxylate (CED0150145)

Record Information
Version1.0
Creation Date2026-04-05 06:20:18 UTC
Update Date2026-08-19 09:23:15 UTC
SynCED IDCED0150145
Secondary Accession Numbers
  • CHEM094619
Identification
Common Name2-[(2-Methyl-1-oxoallyl)oxy]ethyl 1,3-dihydro-1,3-dioxoisobenzofuran-5-carboxylate
ClassSmall Molecule
Description
2-[(2-Methyl-1-oxoallyl)oxy]ethyl 1,3-dihydro-1,3-dioxoisobenzofuran-5-carboxylate is an organic compound with the formula C15H12O7 and an average molecular weight of 304.25 g/mol. 2-[(2-Methyl-1-oxoallyl)oxy]ethyl 1,3-dihydro-1,3-dioxoisobenzofuran-5-carboxylate belongs to the tetracarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This substance has been found in or released from two recorded sources, specifically electrical and electronic equipment including antennas and radio transmission systems.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC15H12O7
Average Molecular Mass304.250 g/mol
Monoisotopic Mass304.058 g/mol
CAS Registry Number70293-55-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C15H12O7/c1-8(2)12(16)20-5-6-21-13(17)9-3-4-10-11(7-9)15(19)22-14(10)18/h3-4,7H,1,5-6H2,2H3
InChI KeyRMCCONIRBZIDTH-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2179.0 Log mg/kg [1200:3900]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
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
CEDs000240Dental materials?Dental materials, including composites, adhesives, and dental amalgams, are widely used in restorative and preventive dental procedures.Healthcare, pharmaceuticals & veterinary productsPMC12532035
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
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
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingPubChem
CEDs000592Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.Marine, shipping & aquaculturePubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.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
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
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
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
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
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs01912Resin MatrixIndustrial manufacturing & chemical processingPMC12532035
CEDs02739GlueBuilding & ConstructionPMC12532035
CEDs02797Adhesive SystemsBuilding & ConstructionPMC11468065
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Thymidylate synthase structureClick to view 3D structureThymidylate synthaseP13100Pneumocystis cariniiPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.302
Statistical Significance
2.00e-05
Supporting Reference Compounds
2
E-value
0.155698
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.298 Low confidence
Statistical Significance
0.0929
Supporting Reference Compounds
372
E-value
723.297
Cyclic nucleotide-gated channel alpha-1 structureClick to view 3D structureCyclic nucleotide-gated channel alpha-1Q00194Bos taurusPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.271 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
2
E-value
9.57545
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.286 Low confidence
Statistical Significance
0.3946
Supporting Reference Compounds
1660
E-value
3072.32
Cyclin-dependent kinase 5 structureClick to view 3D structureCyclin-dependent kinase 5Q00535HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.286 Low confidence
Statistical Significance
0.279
Supporting Reference Compounds
779
E-value
2172.07
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.298 Low confidence
Statistical Significance
0.146
Supporting Reference Compounds
472
E-value
1136.52
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.298 Low confidence
Statistical Significance
0.1204
Supporting Reference Compounds
407
E-value
937.616
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.298 Low confidence
Statistical Significance
0.0541
Supporting Reference Compounds
172
E-value
421.554
Click to view 3D structureEquilibrative nucleoside transporter 2O54699Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.254 Low confidence
Statistical Significance
0.0074
Supporting Reference Compounds
1
E-value
57.6084
Vascular endothelial growth factor receptor 3 structureClick to view 3D structureVascular endothelial growth factor receptor 3P35916HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.286 Low confidence
Statistical Significance
0.2662
Supporting Reference Compounds
687
E-value
2072.66
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.3
Statistical Significance
0.0795
Supporting Reference Compounds
241
E-value
618.668
Cyclin-dependent kinase 1 structureClick to view 3D structureCyclin-dependent kinase 1P06493HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.286 Low confidence
Statistical Significance
0.273
Supporting Reference Compounds
715
E-value
2124.97
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.279 Low confidence
Statistical Significance
0.091
Supporting Reference Compounds
296
E-value
708.506
Fibroblast growth factor receptor 1 structureClick to view 3D structureFibroblast growth factor receptor 1P11362HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.286 Low confidence
Statistical Significance
0.366
Supporting Reference Compounds
1010
E-value
2849.05
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.286 Low confidence
Statistical Significance
0.4103
Supporting Reference Compounds
1274
E-value
3193.84
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.298 Low confidence
Statistical Significance
0.0855
Supporting Reference Compounds
242
E-value
665.377
Serine/threonine-protein kinase PLK1 structureClick to view 3D structureSerine/threonine-protein kinase PLK1P53350HumansPredicted (SEA)
Prediction Confidence Score
0.249
Applicability Domain
0.286 Low confidence
Statistical Significance
0.3033
Supporting Reference Compounds
705
E-value
2361.09
Casein kinase I isoform delta structureClick to view 3D structureCasein kinase I isoform deltaP48730HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.286 Low confidence
Statistical Significance
0.2954
Supporting Reference Compounds
637
E-value
2299.74
MAP kinase-interacting serine/threonine-protein kinase 2 structureClick to view 3D structureMAP kinase-interacting serine/threonine-protein kinase 2Q9HBH9HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.286 Low confidence
Statistical Significance
0.2806
Supporting Reference Compounds
550
E-value
2184.76
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.298 Low confidence
Statistical Significance
0.1293
Supporting Reference Compounds
332
E-value
1006.59
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.286 Low confidence
Statistical Significance
0.4002
Supporting Reference Compounds
1158
E-value
3115.84
Apoptotic protease-activating factor 1 structureClick to view 3D structureApoptotic protease-activating factor 1O14727HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.279 Low confidence
Statistical Significance
0.0214
Supporting Reference Compounds
112
E-value
166.987
Click to view 3D structureSqualene monooxygenaseP52020Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.283 Low confidence
Statistical Significance
7.70e-04
Supporting Reference Compounds
12
E-value
5.99439
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.279 Low confidence
Statistical Significance
0.1533
Supporting Reference Compounds
425
E-value
1193.35
Rho-associated protein kinase 2 structureClick to view 3D structureRho-associated protein kinase 2O75116HumansPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.286 Low confidence
Statistical Significance
0.3689
Supporting Reference Compounds
811
E-value
2872.25
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available