AromaDb: A Database of Plant's Aroma Molecules

2,4-Dimethylbenzaldehyde Details

: IUPAC Name
2,4-dimethylbenzaldehyde
:Chemical Class
Aldehyde
:CAS Registry Number
15764-16-6
:Description

:Fragrance Type
Almond

Physical and Chemical properties

PUBCHEM ID61814
Molecular Weight (mg/mol)134.179
Molecular FormulaC9H10O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
IUPAC Name
Canonical SMILESCc1ccc(C=O)c(C)c1
PUBCHEM IUPAC INCHIKEYGISVICWQYMUPJF-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA25.78
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.561
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD504.26148
Ocular IrritancyMild
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 15764-16-6
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 15764-16-6 2,4-Dimethylbenzaldehyde

Compound Image


2D Structure

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