AromaDb: A Database of Plant's Aroma Molecules

2,5-Dimethyl-4,5-dihydrofuran-3-ol-4-one Details

: IUPAC Name
4-Hydroxy-2,5-dimethyl-32H-furanone
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
pineapple aroma

Physical and Chemical properties

PUBCHEM ID25200724
Molecular Weight (mg/mol)128.13
Molecular FormulaC6H8O3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
IUPAC Name4-Hydroxy-2,5-dimethyl-32H-furanone
Canonical SMILESCc1oc(C)c(O)c1O
PUBCHEM IUPAC INCHIKEYIIGLVVZHSDZGOL-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA13.14
BBB Level3
Absorption Level0
EXT PPB#Prediction0
AlogP980.74
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.847314
Ocular IrritancyModerate
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards None
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 2,5-Dimethyl-4,5-dihydrofuran-3-ol-4-one

Compound Image


2D Structure

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