AromaDb: A Database of Plant's Aroma Molecules

Cumin Aldehyde Details

: IUPAC Name
4-propan-2-ylbenzaldehyde
:Chemical Class
Aldehyde
:CAS Registry Number
122-03-2
:Description

:Fragrance Type
wood

Physical and Chemical properties

PUBCHEM ID326
Molecular Weight (mg/mol)148.202
Molecular FormulaC10H12O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
IUPAC Name4-propan-2-ylbenzaldehyde
Canonical SMILESCC(C)c1ccc(C=O)cc1
PUBCHEM IUPAC INCHIKEYWTWBUQJHJGUZCY-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA17.1
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 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

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 Cumin Aldehyde

Compound Image


2D Structure

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(External database - ChemAxon)