AromaDb: A Database of Plant's Aroma Molecules

p-Cymen-7-carboxaldehyde Details

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

:Fragrance Type
woody

Physical and Chemical properties

PUBCHEM ID61359
Molecular Weight (mg/mol)162.233
Molecular FormulaC11H14O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
IUPAC Namep-Isopropylphenylacetaldehyde
Canonical SMILESCC(C)c1ccc(CC=O)cc1
PUBCHEM IUPAC INCHIKEYFSKGFRBHGXIDSA-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.503

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.71
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.27724
Ocular IrritancyNone
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 p-Cymen-7-carboxaldehyde

Compound Image


2D Structure

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