AromaDb: A Database of Plant's Aroma Molecules

2,4-Cresotaldehyde Details

: IUPAC Name
2-Hydroxy-4-methylbenzaldehyde
:Chemical Class
:CAS Registry Number
698-27-1
:Description

:Fragrance Type
bitter-almond

Physical and Chemical properties

PUBCHEM ID61200
Molecular Weight (mg/mol)136.152
Molecular FormulaC8H8O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name2-Hydroxy-4-methylbenzaldehyde
Canonical SMILESCc1ccc(C=O)c(O)c1
PUBCHEM IUPAC INCHIKEYJODRRPJMQDFCBJ-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-2.357

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level2
Absorption Level0
EXT PPB#Prediction1
AlogP981.833
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 ToxicityToxic
Rat Oral LD501.3125
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards None
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 698-27-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 698-27-1 2,4-Cresotaldehyde

Compound Image


2D Structure

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