1,1-diphenylethylbenzene (CED0136038)

Record Information

Version

1.0

Creation Date

2026-08-20 05:01:56 UTC

Update Date

2026-08-20 05:01:56 UTC

Accession Number

CHEM200574

Identification

Common Name

1,1-diphenylethylbenzene

Class

Small Molecule

Description

1,1-diphenylethylbenzene is an organic compound with the formula C20H18 and an average molecular weight of 258.40 g/mol. 1,1-diphenylethylbenzene belongs to the triphenyl compounds, a class of benzenoids within the organic compounds. The substance has been identified in or released from five recorded sources. These sources include electrical and electronic equipment, specifically antennas, coils, discharge lamps, superconducting magnets, and superconducting coils. Additionally, it is associated with food, food processing, and cookware, specifically within fermentation processes for beer.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₀H₁₈

Average Molecular Mass

258.400 g/mol

Monoisotopic Mass

258.141 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C20H18/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3

InChI Key

QIDUHGHFWAMMPV-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
228.0	Log mg/kg	[130:410]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
655	Slide Fasteners	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	52.4704
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 2	P11507	Rattus norvegicus	Predicted (SEA)	1.71268
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	80.3404
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	390.18
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	324.008
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	441.95
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	540.507
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	1807.11
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	2466.65
Click to view 3D structure	Aldehyde dehydrogenase 1A1	P51647	Rattus norvegicus	Predicted (SEA)	1.16774
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	535.992
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	504.307
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	405.361
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	391.893
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	26.2352
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	301.432
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	2941.38
Click to view 3D structure	Pancreatic alpha-amylase	P00689	Rattus norvegicus	Predicted (SEA)	5.3716
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	805.195
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	285.551
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	113.115
Click to view 3D structure	Muscarinic acetylcholine receptor M1	Q8WMX0	Bos taurus	Predicted (SEA)	17.1268
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	1517.44
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	2176.59
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	132.188