AromaDb: A Database of Plant's Aroma Molecules

5-Amyl-3H-furan-2-one Details

: IUPAC Name
5-Pentyl-3H-furan-2-one
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
milky

Physical and Chemical properties

PUBCHEM ID10725569
Molecular Weight (mg/mol)154.211
Molecular FormulaC16H22O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
IUPAC Name5-Pentyl-3H-furan-2-one
Canonical SMILESCCCCC[C@@H](/C=C/c1ccccc1)OC(C)=O
PUBCHEM IUPAC INCHIKEYPHOQNPPEIYLGSI-DBTPVHCXSA-N
Solubility Level3
Vapour Pressure-3.78

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA12.89
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.296
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD502.04377
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 5-Amyl-3H-furan-2-one

Compound Image


2D Structure

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