AromaDb: A Database of Plant's Aroma Molecules

2-Decylfuran Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
83469-85-6
:Description

:Fragrance Type
fatty aroma??

Physical and Chemical properties

PUBCHEM ID12762300
Molecular Weight (mg/mol)208.346
Molecular FormulaC14H24O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
IUPAC Name
Canonical SMILESCCCCCCCCCCc1ccco1
PUBCHEM IUPAC INCHIKEYPIBKIYYQPWSUDP-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP985.395
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDANon-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD505.32764
Ocular IrritancyNone
Hepatotoxic#Prediction1
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 83469-85-6
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 83469-85-6 2-Decylfuran

Compound Image


2D Structure

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