AromaDb: A Database of Plant's Aroma Molecules

Dehydromenthofurolactone Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
75640-26-5
:Description

:Fragrance Type
coumarin-like aroma??

Physical and Chemical properties

PUBCHEM ID71587277
Molecular Weight (mg/mol)164.206
Molecular FormulaC10H12O2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
IUPAC Name
Canonical SMILESCc2c1CC[C@@H](C)C=c1oc2=O
PUBCHEM IUPAC INCHIKEYZRTWVYJNKXXDDT-ZCFIWIBFSA-N
Solubility Level3
Vapour Pressure-1.772

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA93.06
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.268
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.352889
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Moderate
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 75640-26-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 75640-26-5 Dehydromenthofurolactone

Compound Image


2D Structure

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