1-ethyl-2-(2-ethylphenoxy)benzene (CED0253245)

Record Information
Version1.0
Creation Date2026-08-28 19:05:00 UTC
Update Date2026-08-28 19:05:00 UTC
SynCED IDCED0253245
Secondary Accession Numbers
  • CHEM297913
Identification
Common Name1-ethyl-2-(2-ethylphenoxy)benzene
ClassSmall Molecule
Description
1-ethyl-2-(2-ethylphenoxy)benzene belongs to the diphenylethers, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the formula C16H18O and an average molecular weight of 226.31 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC16H18O
Average Molecular MassNot Available
Monoisotopic Mass226.136 g/mol
CAS Registry Number68900-67-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC1=CC=CC=C1OC2=CC=CC=C2CC
InChI IdentifierInChI=1S/C16H18O/c1-3-13-9-5-7-11-15(13)17-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3
InChI KeyYIMFCJMGPKCUNS-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
1615.0 Log mg/kg [910:2900]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
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.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
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000691Non Oxide Glass?Non-oxide glass refers to a category of glasses primarily composed of materials other than silicon dioxide, such as boron oxide or phosphorous oxide.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
CEDs000726Pens?Pens, commonly utilized for writing and marking, can be a source of synthetic chemical contamination primarily due to the materials used in their manufacturing.Paper, pulp & fiber productsPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
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
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.4
Statistical Significance
0.0181
Supporting Reference Compounds
593
E-value
140.596
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.346
Applicability Domain
0.4
Statistical Significance
0.0134
Supporting Reference Compounds
451
E-value
104.24
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.385
Statistical Significance
0.0872
Supporting Reference Compounds
1498
E-value
679.157
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.343
Statistical Significance
0.0113
Supporting Reference Compounds
373
E-value
87.7361
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.343
Statistical Significance
0.0241
Supporting Reference Compounds
406
E-value
187.383
Click to view 3D structureMuscarinic acetylcholine receptor M3Q8VH26Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.343
Statistical Significance
0.0013
Supporting Reference Compounds
52
E-value
10.2761
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.4
Statistical Significance
0.0245
Supporting Reference Compounds
506
E-value
191.042
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.343
Statistical Significance
0.0151
Supporting Reference Compounds
234
E-value
117.63
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.4
Statistical Significance
0.0549
Supporting Reference Compounds
955
E-value
427.314
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.391
Statistical Significance
0.0205
Supporting Reference Compounds
332
E-value
159.98
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.391
Statistical Significance
0.0172
Supporting Reference Compounds
242
E-value
133.745
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.391
Statistical Significance
0.051
Supporting Reference Compounds
472
E-value
397.42
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.391
Statistical Significance
0.0393
Supporting Reference Compounds
372
E-value
305.792
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.304
Statistical Significance
0.0293
Supporting Reference Compounds
206
E-value
227.943
Click to view 3D structureAcetylcholinesteraseP37136Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.304
Statistical Significance
0.0148
Supporting Reference Compounds
95
E-value
115.061
Transcription factor EB structureClick to view 3D structureTranscription factor EBP19484HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0019
Supporting Reference Compounds
1
E-value
14.8692
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.364
Statistical Significance
0.0733
Supporting Reference Compounds
541
E-value
570.713
Click to view 3D structureAmino acid transporterQ9Z1J7Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.319
Statistical Significance
8.80e-04
Supporting Reference Compounds
2
E-value
6.85073
4'-phosphopantetheinyl transferase PptT structureClick to view 3D structure4'-phosphopantetheinyl transferase PptTO33336Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.279 Low confidence
Statistical Significance
1.00e-04
Supporting Reference Compounds
3
E-value
0.778492
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.343
Statistical Significance
0.0671
Supporting Reference Compounds
385
E-value
522.135
Click to view 3D structure5-hydroxytryptamine receptor 1BP28564Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.364
Statistical Significance
0.0331
Supporting Reference Compounds
154
E-value
257.447
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.304
Statistical Significance
0.0733
Supporting Reference Compounds
315
E-value
570.713
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.364
Statistical Significance
0.105
Supporting Reference Compounds
528
E-value
817.495
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.391
Statistical Significance
0.035
Supporting Reference Compounds
172
E-value
272.628
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.297 Low confidence
Statistical Significance
0.1644
Supporting Reference Compounds
953
E-value
1280.23
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available