AromaDb: A Database of Plant's Aroma Molecules

Butyl 2-furyl ketone Details

: IUPAC Name
2-Pentanoylfuran
:Chemical Class
:CAS Registry Number
3194-17-0
:Description

:Fragrance Type
Sweet caramel aroma??????

Physical and Chemical properties

PUBCHEM ID231325
Molecular Weight (mg/mol)152.195
Molecular FormulaC9H12O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
IUPAC Name2-Pentanoylfuran
Canonical SMILESCCCCC(=O)c1ccco1
PUBCHEM IUPAC INCHIKEYHTOZHTBIOGGHDJ-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.544
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.30615
Ocular IrritancyModerate
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

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 3194-17-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 3194-17-0 Butyl 2-furyl ketone

Compound Image


2D Structure

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