Toluene, dibenzyl derivative (CED0008878)

Record Information
Version1.0
Creation Date2026-04-04 23:20:17 UTC
Update Date2026-08-21 18:22:59 UTC
Accession NumberCHEM084738
Identification
Common NameToluene, dibenzyl derivative
ClassSmall Molecule
Description
Toluene, dibenzyl derivative is an organic compound with the formula C21H20 and an average molecular weight of 272.40 g/mol. Toluene, dibenzyl derivative belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This substance has been identified in or released from 23 recorded sources across several sectors. Within aquatic systems and sediments, it is found in groundwater, surface water, seawater, and freshwater. It has been detected in drinking water and water supply sources, including tap water, bottled water, and desalinated water. In the sector of wastewater, sanitation, and biosolids, it is present in industrial wastewater, mine wastewater, wastewater treatment effluent, and unspecified wastewater. The compound is associated with electrical and electronic equipment, specifically appearing in magnets, coils, power cables, and superconductive or hyperconductive conductors cables or transmission lines. It is also found in appliances, HVAC, and refrigerants, including water heaters and water coolers. Additionally, it is recorded in marine, shipping, and aquaculture sources such as bilge water and ballast water, among three other sectors. Recorded routes of exposure for this compound include touch, oral, and inhalation.
Contaminant Type
  • PMT
Chemical Structure
SynonymsNot Available
Chemical FormulaC21H20
Average Molecular Mass272.400 g/mol
Monoisotopic Mass272.157 g/mol
CAS Registry Number26898-17-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C21H20/c1-17-9-8-14-20(15-18-10-4-2-5-11-18)21(17)16-19-12-6-3-7-13-19/h2-14H,15-16H2,1H3
InChI KeyPKQYSCBUFZOAPE-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
1257.0Log mg/kg[710:2200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
3Irrigation waterAgriculture & land managementNot Available
27Water CoolersAppliances, HVAC & refrigerantsNot Available
43Water heatersAppliances, HVAC & refrigerantsNot Available
50GroundwaterAquatic systems & sedimentsNot Available
51Surface waterAquatic systems & sedimentsNot Available
52SeawaterAquatic systems & sedimentsNot Available
53FreshwaterAquatic systems & sedimentsNot Available
70Stormwater runoffAutomotive & urban infrastructureNot Available
88Waterproofing spraysBuilding & ConstructionNot Available
115Drinking waterDrinking water & water supplyNot Available
116Tap waterDrinking water & water supplyNot Available
117Bottled waterDrinking water & water supplyNot Available
118Desalinated waterDrinking water & water supplyNot Available
181Ballast waterMarine, shipping & aquacultureNot Available
182Bilge waterMarine, shipping & aquacultureNot Available
468Industrial wastewaterWastewater, sanitation & biosolidsNot Available
470Wastewater treatment effluentWastewater, sanitation & biosolidsNot Available
475Mine wastewaterWastewater, sanitation & biosolidsNot Available
477Wastewater, unspecifiedWastewater, sanitation & biosolidsNot Available
508CoilsElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
536Superconductive Or Hyperconductive Conductors Cables Or Transmission LinesElectrical & Electronic EquipmentNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Trace amine-associated receptor 1 structureClick to view 3D structureTrace amine-associated receptor 1Q96RJ0HumansPredicted (SEA)14.9471
Click to view 3D structure2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplasticP69834Arabidopsis thalianaPredicted (SEA)0.467095
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)151.495
Click to view 3D structureMyeloperoxidaseP11247Mus musculusPredicted (SEA)4.20386
Click to view 3D structureDihydrofolate reductaseQ8Z9J9Salmonella enterica subsp. enterica serovar TyphiPredicted (SEA)9.18621
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00381Lactobacillus caseiPredicted (SEA)29.1156
Interferon alpha/beta receptor 1 structureClick to view 3D structureInterferon alpha/beta receptor 1P17181HumansPredicted (SEA)2.10193
Click to view 3D structureN1LQ49PX0Vaccinia virusPredicted (SEA)0.389246
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP0ABQ4Escherichia coli (strain K12)Predicted (SEA)33.0859
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)333.584
Click to view 3D structureTrace amine-associated receptor 1Q923Y9Rattus norvegicusPredicted (SEA)15.5698
Prostaglandin E2 receptor EP3 subtype structureClick to view 3D structureProstaglandin E2 receptor EP3 subtypeP43115HumansPredicted (SEA)66.8725
Cytochrome P450 2A6 structureClick to view 3D structureCytochrome P450 2A6P11509HumansPredicted (SEA)21.3307
Click to view 3D structureSynaptic vesicular amine transporterQ01827Rattus norvegicusPredicted (SEA)21.7199
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)555.376
Apoptosis regulator Bcl-2 structureClick to view 3D structureApoptosis regulator Bcl-2P10415HumansPredicted (SEA)41.1822
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)1792.17
Click to view 3D structureCytochrome P450 2A5P20852Mus musculusPredicted (SEA)4.5931
Click to view 3D structureTrace amine-associated receptor 1Q923Y8Mus musculusPredicted (SEA)17.7496
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)943.455
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)2748.31
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)1392.26
Click to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)619.68
Click to view 3D structureUridine phosphorylase 1P52624Mus musculusPredicted (SEA)2.10193
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)842.796
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available