2,4,5-Triethoxybenzophenone (CED0127060)

Record Information
Version1.0
Creation Date2026-04-04 03:00:52 UTC
Update Date2026-08-20 03:31:48 UTC
SynCED IDCED0127060
Secondary Accession Numbers
  • CHEM071019
Identification
Common Name2,4,5-Triethoxybenzophenone
ClassSmall Molecule
Description
2,4,5-Triethoxybenzophenone is an organic compound with the formula C19H22O4 and an average molecular weight of 314.38 g/mol. 2,4,5-Triethoxybenzophenone belongs to the benzophenones, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid has been identified in one recorded source, specifically indoor air, dust, and atmospheric transport. The recorded exposure route for this compound is inhalation.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC19H22O4
Average Molecular Mass314.381 g/mol
Monoisotopic Mass314.152 g/mol
CAS Registry Number52199-46-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCOC1=CC(OCC)=C(OCC)C=C1C(=O)C1=CC=CC=C1
InChI IdentifierInChI=1S/C19H22O4/c1-4-21-16-13-18(23-6-3)17(22-5-2)12-15(16)19(20)14-10-8-7-9-11-14/h7-13H,4-6H2,1-3H3
InChI KeyATJSQHQJQSASKB-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
2114.0 Log mg/kg [1200:3800]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
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 transportNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
p-hydroxybenzoate hydroxylase structureClick to view 3D structurep-hydroxybenzoate hydroxylaseP00438Pseudomonas fluorescensPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.364
Statistical Significance
7.50e-04
Supporting Reference Compounds
1
E-value
5.83869
Hepatocyte nuclear factor 4-alpha structureClick to view 3D structureHepatocyte nuclear factor 4-alphaP22449Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.545
Statistical Significance
1.10e-04
Supporting Reference Compounds
2
E-value
0.856341
Potassium channel subfamily K member 3 structureClick to view 3D structurePotassium channel subfamily K member 3O14649HumansPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.438
Statistical Significance
0.0016
Supporting Reference Compounds
15
E-value
12.7673
Mas-related G-protein coupled receptor member X4 structureClick to view 3D structureMas-related G-protein coupled receptor member X4Q96LA9HumansPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.432
Statistical Significance
0.0012
Supporting Reference Compounds
7
E-value
9.73115
Potassium channel subfamily K member 9 structureClick to view 3D structurePotassium channel subfamily K member 9Q9NPC2HumansPredicted (SEA)
Prediction Confidence Score
0.332
Applicability Domain
0.438
Statistical Significance
0.0014
Supporting Reference Compounds
10
E-value
10.7432
Mitochondrial import inner membrane translocase subunit TIM10 structureClick to view 3D structureMitochondrial import inner membrane translocase subunit TIM10P87108Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.396
Statistical Significance
4.60e-04
Supporting Reference Compounds
64
E-value
3.58106
Retinoic acid receptor RXR-alpha structureClick to view 3D structureRetinoic acid receptor RXR-alphaP19793HumansPredicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.545
Statistical Significance
0.0021
Supporting Reference Compounds
82
E-value
16.4262
Hepatocyte nuclear factor 4-alpha structureClick to view 3D structureHepatocyte nuclear factor 4-alphaP41235HumansPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.545
Statistical Significance
2.80e-04
Supporting Reference Compounds
37
E-value
2.17978
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.432
Statistical Significance
0.0023
Supporting Reference Compounds
166
E-value
18.061
Mitochondrial import inner membrane translocase subunit TIM23 structureClick to view 3D structureMitochondrial import inner membrane translocase subunit TIM23P32897Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.396
Statistical Significance
0.0016
Supporting Reference Compounds
75
E-value
12.7673
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.35
Statistical Significance
0.091
Supporting Reference Compounds
1301
E-value
708.817
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
0.318
Applicability Domain
0.318
Statistical Significance
0.0031
Supporting Reference Compounds
1
E-value
24.2111
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.35
Statistical Significance
0.0067
Supporting Reference Compounds
136
E-value
52.159
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.354
Statistical Significance
0.0132
Supporting Reference Compounds
343
E-value
102.761
Click to view 3D structurePotassium channel subfamily K member 3O54912Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.438
Statistical Significance
8.10e-04
Supporting Reference Compounds
5
E-value
6.30579
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.34
Statistical Significance
0.005
Supporting Reference Compounds
226
E-value
39.0025
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.34
Statistical Significance
0.005
Supporting Reference Compounds
227
E-value
39.0025
Luciferin 4-monooxygenase structureClick to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.333
Statistical Significance
0.0074
Supporting Reference Compounds
114
E-value
57.4527
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.333
Statistical Significance
0.0175
Supporting Reference Compounds
425
E-value
136.548
Click to view 3D structureComplement factor DP32038Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.302
Statistical Significance
3.50e-04
Supporting Reference Compounds
1
E-value
2.72472
Segment polarity protein dishevelled homolog DVL-1 structureClick to view 3D structureSegment polarity protein dishevelled homolog DVL-1O14640HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.302
Statistical Significance
1.80e-04
Supporting Reference Compounds
1
E-value
1.40129
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.35
Statistical Significance
0.0156
Supporting Reference Compounds
201
E-value
121.834
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.35
Statistical Significance
0.0064
Supporting Reference Compounds
106
E-value
50.2127
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 structureClick to view 3D structurePotassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2Q9UL51HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.3
Statistical Significance
6.00e-04
Supporting Reference Compounds
1
E-value
4.67095
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.317
Statistical Significance
0.0644
Supporting Reference Compounds
562
E-value
501.038
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available