3-[4-[2-[4-(2,3-dicarboxyphenoxy)phenyl]propan-2-yl]phenoxy]phthalic acid (CED0301541)

Record Information
Version1.0
Creation Date2026-08-31 16:49:54 UTC
Update Date2026-08-31 16:49:54 UTC
Accession NumberCHEM347134
Identification
Common Name3-[4-[2-[4-(2,3-dicarboxyphenoxy)phenyl]propan-2-yl]phenoxy]phthalic acid
ClassSmall Molecule
Description
3-[4-[2-[4-(2,3-dicarboxyphenoxy)phenyl]propan-2-yl]phenoxy]phthalic acid is a chemical compound with the formula C31H24O10. With an average molecular weight of 556.50 g/mol, 3-[4-[2-[4-(2,3-dicarboxyphenoxy)phenyl]propan-2-yl]phenoxy]phthalic acid is a heavy molecule. This substance is found in or released from one recorded source, which is electrical and electronic equipment specifically related to communication cables or conductors.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC31H24O10
Average Molecular MassNot Available
Monoisotopic Mass556.137 g/mol
CAS Registry Number53464-95-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)(C1=CC=C(C=C1)OC2=CC=CC(=C2C(=O)O)C(=O)O)C3=CC=C(C=C3)OC4=CC=CC(=C4C(=O)O)C(=O)O
InChI IdentifierInChI=1S/C31H24O10/c1-31(2,17-9-13-19(14-10-17)40-23-7-3-5-21(27(32)33)25(23)29(36)37)18-11-15-20(16-12-18)41-24-8-4-6-22(28(34)35)26(24)30(38)39/h3-16H,1-2H3,(H,32,33)(H,34,35)(H,36,37)(H,38,39)
InChI KeyXZWYIEAOALEANP-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2874.0Log mg/kg[1600:5100]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
644Hook Or Eye FastenersTextiles, leather & furnishingsNot Available
658Touch FastenersTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureMetallo beta-lactamaseQ6TUJ4Pseudomonas aeruginosaPredicted (SEA)0.311397
Click to view 3D structureProtoporphyrinogen oxidase, mitochondrialO24164Nicotiana tabacumPredicted (SEA)2.80257
Click to view 3D structureSarcoplasmic/endoplasmic reticulum calcium ATPase 2P11507Rattus norvegicusPredicted (SEA)1.40129
Click to view 3D structureBeta-ketoacyl-[acyl-carrier-protein] synthase IIIP68795Staphylococcus aureus subsp. aureus Mu50Predicted (SEA)9.49761
Beta-ketoacyl-[acyl-carrier-protein] synthase III structureClick to view 3D structureBeta-ketoacyl-[acyl-carrier-protein] synthase IIIQ820T1Enterococcus faecalis (strain ATCC 700802 / V583)Predicted (SEA)10.1982
Click to view 3D structureBeta-ketoacyl-[acyl-carrier-protein] synthase IIIP0DB00Streptococcus pyogenes serotype M3 (strain ATCC BAA-595 / MGAS315)Predicted (SEA)9.73115
Nicotinate phosphoribosyltransferase structureClick to view 3D structureNicotinate phosphoribosyltransferaseQ6XQN6HumansPredicted (SEA)4.51525
Click to view 3D structureAdvanced glycosylation end product-specific receptorQ63495Rattus norvegicusPredicted (SEA)2.17978
Click to view 3D structureBeta-ketoacyl-[acyl-carrier-protein] synthase IIIP43711Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)Predicted (SEA)11.1324
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)136.08
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)103.851
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)73.0226
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)69.8307
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)396.875
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)473.479
p-hydroxybenzoate hydroxylase structureClick to view 3D structurep-hydroxybenzoate hydroxylaseP00438Pseudomonas fluorescensPredicted (SEA)43.2842
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)168.544
Click to view 3D structureComplement factor DP32038Rattus norvegicusPredicted (SEA)7.23998
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)322.763
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)110.702
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)2231.08
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)611.583
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)776.235
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)2221.27
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)2022.37
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available