AromaDb: A Database of Plant's Aroma Molecules

Cyclamal Details

: IUPAC Name
2-Methyl-3-p-isopropylphenylpropionaldehyde
:Chemical Class
:CAS Registry Number
74648-07-0
:Description

:Fragrance Type
floral aroma??

Physical and Chemical properties

PUBCHEM ID517827
Molecular Weight (mg/mol)190.287
Molecular FormulaC13H18O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
IUPAC Name2-Methyl-3-p-isopropylphenylpropionaldehyde
Canonical SMILESCC(C)c1ccc(C[C@@H](C)C=O)cc1
PUBCHEM IUPAC INCHIKEYZFNVDHOSLNRHNN-LLVKDONJSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA0
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.629
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.70662
Ocular IrritancyNone
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

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 74648-07-0
2 74648-07-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 74648-07-0 Cyclamal

Compound Image


2D Structure

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