(4-ethoxyphenyl) 4-butoxycarbonyloxybenzoate (CED0153772)

Record Information
Version1.0
Creation Date2026-08-20 05:45:00 UTC
Update Date2026-08-20 05:45:00 UTC
SynCED IDCED0153772
Secondary Accession Numbers
  • CHEM201379
Identification
Common Name(4-ethoxyphenyl) 4-butoxycarbonyloxybenzoate
ClassSmall Molecule
Description
(4-ethoxyphenyl) 4-butoxycarbonyloxybenzoate is an organic compound with the chemical formula C20H22O6 and an average molecular weight of 358.40 g/mol. (4-ethoxyphenyl) 4-butoxycarbonyloxybenzoate belongs to the depsides and depsidones, a class of phenylpropanoids and polyketides within the organic compounds. This substance has been found in or released from two recorded sources, specifically auxiliary devices and radio transmission systems within electrical and electronic equipment.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H22O6
Average Molecular Mass358.400 g/mol
Monoisotopic Mass358.142 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C20H22O6/c1-3-5-14-24-20(22)26-18-8-6-15(7-9-18)19(21)25-17-12-10-16(11-13-17)23-4-2/h6-13H,3-5,14H2,1-2H3
InChI KeyGIJIKFKGLZGENN-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
2729.0 Log mg/kg [1500:4900]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 EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000507Auxiliary Devices?Auxiliary devices, such as capacitors, transformers, and circuit breakers, are integral components in various electronic systems.Electrical & Electronic EquipmentNot Available
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentNot Available
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 & ConstructionNot Available
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 productsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)
Prediction Confidence Score
0.465
Applicability Domain
0.465
Statistical Significance
2.20e-04
Supporting Reference Compounds
1
E-value
1.71268
Transient receptor potential cation channel subfamily V member 3 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 3Q8K424Mus musculusPredicted (SEA)
Prediction Confidence Score
0.385
Applicability Domain
0.385
Statistical Significance
1.00e-03
Supporting Reference Compounds
1
E-value
7.78492
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.368
Statistical Significance
0.0213
Supporting Reference Compounds
331
E-value
165.741
Cyclic nucleotide-gated channel alpha-1 structureClick to view 3D structureCyclic nucleotide-gated channel alpha-1Q00194Bos taurusPredicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.358
Statistical Significance
6.00e-05
Supporting Reference Compounds
2
E-value
0.467095
Click to view 3D structureCytosolic phospholipase A2 betaP0C869HumansPredicted (SEA)
Prediction Confidence Score
0.332
Applicability Domain
0.417
Statistical Significance
3.00e-04
Supporting Reference Compounds
4
E-value
2.33548
Transmembrane protease serine 2 structureClick to view 3D structureTransmembrane protease serine 2O15393HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.368
Statistical Significance
0.0051
Supporting Reference Compounds
23
E-value
40.0924
Serine protease 1 structureClick to view 3D structureSerine protease 1P07477HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.353
Statistical Significance
0.0108
Supporting Reference Compounds
112
E-value
83.9215
Click to view 3D structureHistamine H3 receptorQ9QYN8Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.379
Statistical Significance
0.0064
Supporting Reference Compounds
80
E-value
49.6678
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.333
Statistical Significance
0.0472
Supporting Reference Compounds
825
E-value
367.37
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.333
Statistical Significance
0.0545
Supporting Reference Compounds
793
E-value
424.356
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.379
Statistical Significance
0.0419
Supporting Reference Compounds
507
E-value
326.422
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.32
Statistical Significance
0.0076
Supporting Reference Compounds
127
E-value
58.854
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.358
Statistical Significance
0.0694
Supporting Reference Compounds
955
E-value
540.351
Retinoic acid receptor beta structureClick to view 3D structureRetinoic acid receptor betaP10826HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.397
Statistical Significance
0.0013
Supporting Reference Compounds
47
E-value
10.1982
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.333
Statistical Significance
0.0956
Supporting Reference Compounds
1130
E-value
743.927
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.358
Statistical Significance
0.0581
Supporting Reference Compounds
562
E-value
451.993
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.333
Statistical Significance
0.1276
Supporting Reference Compounds
1245
E-value
993.278
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.371
Statistical Significance
0.0208
Supporting Reference Compounds
425
E-value
161.849
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.358
Statistical Significance
0.021
Supporting Reference Compounds
241
E-value
163.172
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.313
Statistical Significance
0.1797
Supporting Reference Compounds
1538
E-value
1399.03
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.354
Statistical Significance
0.0142
Supporting Reference Compounds
201
E-value
110.935
Neutral ceramidase structureClick to view 3D structureNeutral ceramidaseQ9NR71HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.294 Low confidence
Statistical Significance
4.50e-04
Supporting Reference Compounds
1
E-value
3.50322
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.317
Statistical Significance
0.0363
Supporting Reference Compounds
294
E-value
282.515
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.328
Statistical Significance
0.0169
Supporting Reference Compounds
127
E-value
131.954
Retinoic acid receptor alpha structureClick to view 3D structureRetinoic acid receptor alphaP10276HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.397
Statistical Significance
0.003
Supporting Reference Compounds
53
E-value
23.744
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available