AromaDb: A Database of Plant's Aroma Molecules

Cumaldehyde Details

: IUPAC Name
Cuminaldehyde
:Chemical Class
:CAS Registry Number
122-03-2
:Description

:Fragrance Type
vegetable

Physical and Chemical properties

PUBCHEM ID326
Molecular Weight (mg/mol)148.206
Molecular FormulaC10H12O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
IUPAC NameCuminaldehyde
Canonical SMILESCC(C)c1ccc(C=O)cc1
PUBCHEM IUPAC INCHIKEYWTWBUQJHJGUZCY-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.783
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.50777
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
1 122-03-2 NA NA NA NA NA
2 122-03-2 NA NA NA NA NA
3 122-03-2 NA NA NA NA NA
4 122-03-2 NA NA NA NA NA
5 122-03-2 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 122-03-2 Cumaldehyde

Compound Image


2D Structure

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