AromaDb: A Database of Plant's Aroma Molecules

Gamma-Nonalactone Details

: IUPAC Name
gamma-Nonalactone
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
coconut

Physical and Chemical properties

PUBCHEM ID7710
Molecular Weight (mg/mol)156.227
Molecular FormulaC9H16O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
IUPAC Namegamma-Nonalactone
Canonical SMILESCCCCC[C@H]1CCC(=O)O1
PUBCHEM IUPAC INCHIKEYOALYTRUKMRCXNH-QMMMGPOBSA-N
Solubility Level3
Vapour Pressure-0.877

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA37.29
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.546
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD504.74717
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Gamma-Nonalactone

Compound Image


2D Structure

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