AromaDb: A Database of Plant's Aroma Molecules

2,4-Difurfurylfuran Details

: IUPAC Name
2,4-bis(furan-2-ylmethyl)furan
:Chemical Class
:CAS Registry Number
64280-32-6
:Description

:Fragrance Type
fruity aroma??

Physical and Chemical properties

PUBCHEM ID53423642
Molecular Weight (mg/mol)228.25
Molecular FormulaC14H12O3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
IUPAC Name
Canonical SMILESc3coc(Cc2coc(Cc1ccco1)c2)c3
PUBCHEM IUPAC INCHIKEYMLLNFQCJOXJITQ-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-5.074

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.122
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.879952
Ocular IrritancyModerate
Hepatotoxic#Prediction1
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 64280-32-6
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 64280-32-6 2,4-Difurfurylfuran

Compound Image


2D Structure

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