AromaDb: A Database of Plant's Aroma Molecules

Amyl furan-2-carboxylate Details

: IUPAC Name
Amyl2-furoate
:Chemical Class
:CAS Registry Number
110-66-7
:Description

:Fragrance Type
herbaceous

Physical and Chemical properties

PUBCHEM ID74008
Molecular Weight (mg/mol)182.222
Molecular FormulaC5H12S
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
IUPAC NameAmyl2-furoate
Canonical SMILESCCCCCS
PUBCHEM IUPAC INCHIKEYZRKMQKLGEQPLNS-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.45

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.865
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD502.91523
Ocular IrritancyNone
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
1 110-66-7
2 110-66-7
3 110-66-7
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 110-66-7 Amyl furan-2-carboxylate

Compound Image


2D Structure

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