AromaDb: A Database of Plant's Aroma Molecules

Cumylacetaldehyde Details

: IUPAC Name
p-Isopropylphenylacetaldehyde
:Chemical Class
:CAS Registry Number
6325-41-3
:Description

:Fragrance Type
caraway

Physical and Chemical properties

PUBCHEM ID232459
Molecular Weight (mg/mol)162.233
Molecular FormulaC11H14O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Namep-Isopropylphenylacetaldehyde
Canonical SMILESCC(C)(CC=O)c1ccccc1
PUBCHEM IUPAC INCHIKEYCOUZAGXGXFTWTH-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.43
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD504.00175
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 6325-41-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 6325-41-3 Cumylacetaldehyde

Compound Image


2D Structure

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