Trans-a,a-epoxydibenzyl (CED0174523)

Record Information

Version

1.0

Creation Date

2026-04-04 20:05:33 UTC

Update Date

2026-04-04 20:05:33 UTC

Accession Number

CHEM080591

Identification

Common Name

Trans-a,a-epoxydibenzyl

Class

Small Molecule

Description

Trans-a,a-epoxydibenzyl is an organic compound with the formula C14H12O and an average molecular weight of 196.25 g/mol. Trans-a,a-epoxydibenzyl belongs to the stilbenes, a class of phenylpropanoids and polyketides within the organic compounds. This substance has been identified in or released from three recorded sources. These include electrical and electronic equipment, specifically power cables and fixed capacitors and their manufacture, as well as household cleaning and consumer products, specifically cigar cigarettes.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₄H₁₂O

Average Molecular Mass

196.249 g/mol

Monoisotopic Mass

196.089 g/mol

CAS Registry Number

17619-97-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

O1[C@H]([C@@H]1C1=CC=CC=C1)C1=CC=CC=C1

InChI Identifier

InChI=1/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H

InChI Key

ARCJQKUWGAZPFX-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0006-9400000000-143667fdee9bc5cc6c1d	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum

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
2705.0	Log mg/kg	[1500:4800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	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	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	59.5547
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	51.3026
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	222.415
Click to view 3D structure	Lysine-specific histone demethylase 1A	O60341	Humans	Predicted (SEA)	31.2175
Click to view 3D structure	Cytochrome P450 2B6	P20813	Humans	Predicted (SEA)	20.3186
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	28.8042
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	502.828
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	738.011
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	596.481
Click to view 3D structure	Cytochrome P450 2A6	P11509	Humans	Predicted (SEA)	24.5225
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	1146.56
Click to view 3D structure	Aldehyde dehydrogenase 1A1	P51647	Rattus norvegicus	Predicted (SEA)	1.16774
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	802.314
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	747.975
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	404.271
Click to view 3D structure	D(1A) dopamine receptor	P18901	Rattus norvegicus	Predicted (SEA)	416.026
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q60492	Cavia porcellus	Predicted (SEA)	671.683
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	298.707
Click to view 3D structure	Vesicular acetylcholine transporter	Q16572	Humans	Predicted (SEA)	64.8484
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	832.753
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	1557.3
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	446.465
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21396	Rattus norvegicus	Predicted (SEA)	190.108
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	1083.89
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	56.5185