AromaDb: A Database of Plant's Aroma Molecules

2,5-Diethyltetrahydrofuran Details

: IUPAC Name
2,5-diethyloxolane
:Chemical Class
:CAS Registry Number
41239-48-9
:Description

:Fragrance Type
carmellic

Physical and Chemical properties

PUBCHEM ID62913
Molecular Weight (mg/mol)128.212
Molecular FormulaC8H16O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
IUPAC Name2,5-diethyloxolane
Canonical SMILESCCC1CCC(CC)O1
PUBCHEM IUPAC INCHIKEYYKWLEIXVUHRKEF-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA2.5
CACTVS TPSA9.2
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP982.313
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 LD502.32327 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction0
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 41239-48-9
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 41239-48-9 2,5-Diethyltetrahydrofuran

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Spearmint Arka Mentha spicata Arka essential oil
2 Spearmint MSS-5 Mentha spicata MSS-5 essential oil

Compound Image


2D Structure

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(External database - ChemAxon)