AromaDb: A Database of Plant's Aroma Molecules

2-Furfuryl Alcohol Details

: IUPAC Name
furan-2-ylmethanol
:Chemical Class
Alcohol
:CAS Registry Number
98-00-0
:Description

:Fragrance Type
burnt

Physical and Chemical properties

PUBCHEM ID7361
Molecular Weight (mg/mol)98.0999
Molecular FormulaC5H6O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
IUPAC Namefuran-2-ylmethanol
Canonical SMILESOCc1ccco1
PUBCHEM IUPAC INCHIKEYXPFVYQJUAUNWIW-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA33.4
BBB Level3
Absorption Level0
EXT PPB#Prediction0
AlogP980.407
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.43676 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human Genes

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 98-00-0 IFNG Mus musculus furfuryl alcohol results in increased expression of IFNG protein increases^expression 22003193
2 98-00-0 IL4 Mus musculus furfuryl alcohol results in increased expression of IL4 protein increases^expression 22003193
3 98-00-0 IL5 Mus musculus furfuryl alcohol results in increased expression of IL5 protein increases^expression 22003193
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 98-00-0 2-Furfuryl Alcohol

Compound Image


2D Structure

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