AromaDb: A Database of Plant's Aroma Molecules

Perillyl aldehyde Details

: IUPAC Name
p-Mentha-1,8-dien-7-al
:Chemical Class
:CAS Registry Number
18031-40-8
:Description

:Fragrance Type
minty

Physical and Chemical properties

PUBCHEM ID16441
Molecular Weight (mg/mol)150.222
Molecular FormulaC10H14O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
IUPAC Namep-Mentha-1,8-dien-7-al
Canonical SMILESC=C(C)[C@@H]1C/C=C(C=O)CC1
PUBCHEM IUPAC INCHIKEYRUMOYJJNUMEFDD-SNVBAGLBSA-N
Solubility Level3
Vapour Pressure-0.812

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA18.46
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.668
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.5906
Ocular IrritancyMild
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 18031-40-8
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 18031-40-8 Perillyl aldehyde

Compound Image


2D Structure

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