AromaDb: A Database of Plant's Aroma Molecules

9-Undecenal Details

: IUPAC Name
9-Undecenal
:Chemical Class
:CAS Registry Number
324541-83-5
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID61097
Molecular Weight (mg/mol)168.281
Molecular FormulaC11H20O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
IUPAC Name9-Undecenal
Canonical SMILESC/C=C/CCCCCCCC=O
PUBCHEM IUPAC INCHIKEYZFMUIJVOIVHGCF-NSCUHMNNSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA40.12
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP983.689
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD504.85234
Ocular IrritancyNone
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 324541-83-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 324541-83-5 9-Undecenal

Compound Image


2D Structure

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