AromaDb: A Database of Plant's Aroma Molecules

Nonanal Details

: IUPAC Name
nonanal
:Chemical Class
:CAS Registry Number
124-19-6
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID31289
Molecular Weight (mg/mol)142.239
Molecular FormulaC9H18O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
IUPAC Namenonanal
Canonical SMILESCCCCCCCCC=O
PUBCHEM IUPAC INCHIKEYGYHFUZHODSMOHU-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-0.375

Absorption and Metabolism information

XLOGP3 AA3.3
CACTVS TPSA17.1
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.221
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 LD503.61388 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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 124-19-6 Nonanal

Compound Image


2D Structure

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(External database - ChemAxon)