(4-benzoylphenyl) dodecanoate (CED0059608)

Record Information
Version1.0
Creation Date2026-08-22 05:23:13 UTC
Update Date2026-08-22 05:23:13 UTC
SynCED IDCED0059608
Secondary Accession Numbers
  • CHEM209963
Identification
Common Name(4-benzoylphenyl) dodecanoate
ClassSmall Molecule
Description
(4-benzoylphenyl) dodecanoate is an organic compound with the formula C25H32O3 and an average molecular weight of 380.50 g/mol. (4-benzoylphenyl) dodecanoate belongs to the benzophenones, a subclass of benzene and substituted derivatives within the organic compounds. This compound is associated with one recorded source, where it is found in or released from electrical and electronic equipment, specifically communication cables or conductors.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC25H32O3
Average Molecular Mass380.500 g/mol
Monoisotopic Mass380.235 g/mol
CAS Registry Number142857-24-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C25H32O3/c1-2-3-4-5-6-7-8-9-13-16-24(26)28-23-19-17-22(18-20-23)25(27)21-14-11-10-12-15-21/h10-12,14-15,17-20H,2-9,13,16H2,1H3
InChI KeyFDHGNZHRYOAXEX-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
6067.0 Log mg/kg [3400:11000]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
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
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
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAcidic phospholipase A2 CM-IP00602Naja mossambicaPredicted (SEA)
Prediction Confidence Score
0.5
Applicability Domain
0.5
Statistical Significance
9.00e-05
Supporting Reference Compounds
1
E-value
0.700643
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
0.476
Applicability Domain
0.476
Statistical Significance
2.00e-04
Supporting Reference Compounds
1
E-value
1.55698
DNA-directed DNA/RNA polymerase mu structureClick to view 3D structureDNA-directed DNA/RNA polymerase muQ9NP87HumansPredicted (SEA)
Prediction Confidence Score
0.44
Applicability Domain
0.44
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Click to view 3D structureDNA nucleotidylexotransferaseP06526Bos taurusPredicted (SEA)
Prediction Confidence Score
0.44
Applicability Domain
0.44
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
DNA polymerase iota structureClick to view 3D structureDNA polymerase iotaQ6R3M4Mus musculusPredicted (SEA)
Prediction Confidence Score
0.416
Applicability Domain
0.44
Statistical Significance
2.00e-05
Supporting Reference Compounds
2
E-value
0.155698
Click to view 3D structureAlkaline ceramidase 2Q5QJU3HumansPredicted (SEA)
Prediction Confidence Score
0.38
Applicability Domain
0.38
Statistical Significance
2.30e-04
Supporting Reference Compounds
1
E-value
1.79053
Click to view 3D structureM-phase inducer phosphatase 2P30306Mus musculusPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.604
Statistical Significance
9.00e-05
Supporting Reference Compounds
4
E-value
0.700643
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.36
Applicability Domain
0.378
Statistical Significance
0.0044
Supporting Reference Compounds
127
E-value
34.0201
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.378
Statistical Significance
0.0032
Supporting Reference Compounds
197
E-value
24.6782
Ceramide transfer protein structureClick to view 3D structureCeramide transfer proteinQ9Y5P4HumansPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.352
Statistical Significance
2.50e-04
Supporting Reference Compounds
1
E-value
1.94623
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.351
Applicability Domain
0.378
Statistical Significance
0.0037
Supporting Reference Compounds
89
E-value
28.6485
Click to view 3D structureHistone deacetylase 11Q96DB2HumansPredicted (SEA)
Prediction Confidence Score
0.346
Applicability Domain
0.378
Statistical Significance
0.0065
Supporting Reference Compounds
149
E-value
50.8355
Click to view 3D structureCytosolic phospholipase A2 betaP0C869HumansPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.426
Statistical Significance
2.70e-04
Supporting Reference Compounds
4
E-value
2.10193
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.342
Applicability Domain
0.378
Statistical Significance
0.0074
Supporting Reference Compounds
192
E-value
57.5306
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
0.34
Applicability Domain
0.34
Statistical Significance
0.0019
Supporting Reference Compounds
1
E-value
15.1806
Dual specificity protein phosphatase 3 structureClick to view 3D structureDual specificity protein phosphatase 3P51452HumansPredicted (SEA)
Prediction Confidence Score
0.337
Applicability Domain
0.604
Statistical Significance
0.0015
Supporting Reference Compounds
147
E-value
11.5995
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.378
Statistical Significance
0.0015
Supporting Reference Compounds
21
E-value
11.8331
Fe(3+)-Zn(2+) purple acid phosphatase structureClick to view 3D structureFe(3+)-Zn(2+) purple acid phosphataseP80366Phaseolus vulgarisPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
4.20e-04
Supporting Reference Compounds
1
E-value
3.26967
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.426
Statistical Significance
0.0044
Supporting Reference Compounds
102
E-value
34.5651
Click to view 3D structureCytosolic phospholipase A2A4IFJ5Bos taurusPredicted (SEA)
Prediction Confidence Score
0.328
Applicability Domain
0.328
Statistical Significance
6.30e-04
Supporting Reference Compounds
1
E-value
4.9045
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.358
Statistical Significance
0.0085
Supporting Reference Compounds
106
E-value
66.5611
Free fatty acid receptor 1 structureClick to view 3D structureFree fatty acid receptor 1O14842HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.378
Statistical Significance
0.0049
Supporting Reference Compounds
56
E-value
37.9904
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.378
Statistical Significance
8.10e-04
Supporting Reference Compounds
15
E-value
6.30579
Adiponectin receptor protein 2 structureClick to view 3D structureAdiponectin receptor protein 2Q86V24HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.317
Statistical Significance
0.0044
Supporting Reference Compounds
1
E-value
34.0201
Adiponectin receptor protein 1 structureClick to view 3D structureAdiponectin receptor protein 1Q96A54HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.317
Statistical Significance
0.0044
Supporting Reference Compounds
1
E-value
34.0201
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available