AromaDb: A Database of Plant's Aroma Molecules

Benzyl ether Details

: IUPAC Name
Dibenzylether
:Chemical Class
:CAS Registry Number
103-50-4
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID7657
Molecular Weight (mg/mol)198.266
Molecular FormulaC14H14O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
IUPAC NameDibenzylether
Canonical SMILESc2ccc(COCc1ccccc1)cc2
PUBCHEM IUPAC INCHIKEYMHDVGSVTJDSBDK-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.217
EXT CYP2D6#Prediction1

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD502.36363
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 103-50-4 NA NA NA NA NA
2 103-50-4 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 103-50-4 Benzyl ether

Compound Image


2D Structure

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