AromaDb: A Database of Plant's Aroma Molecules

3-Nonanal Details

: IUPAC Name
nonan-3-one
:Chemical Class
Alcohol
:CAS Registry Number
925-78-0
:Description

:Fragrance Type
fruity

Physical and Chemical properties

PUBCHEM ID61235
Molecular Weight (mg/mol)142.239
Molecular FormulaC9H18O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
IUPAC Namenonan-3-one
Canonical SMILESCCCCCCC(=O)CC
PUBCHEM IUPAC INCHIKEYIYTXKIXETAELAV-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-0.361

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA17.1
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.054
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD503.68286 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesALDH7A1, PPIG, SLC6A4, CHRNA7, ADA, ECE1, SLC6A2, SLC6A3, JAK2, ADAM17, ITGAL, SLC18A2, SOD1, PIK3R1, PTPN3

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
1 925-78-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 925-78-0 3-Nonanal

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 American wild mint Mentha essential canadensis essential oil

Compound Image


2D Structure

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(External database - ChemAxon)