AromaDb: A Database of Plant's Aroma Molecules

Alpha-Amylcinnamaldehyde Details

: IUPAC Name
(2E)-2-benzylideneheptanal
:Chemical Class
:CAS Registry Number
122-40-7
:Description

:Fragrance Type
jasmine??

Physical and Chemical properties

PUBCHEM ID1623625
Molecular Weight (mg/mol)202.298
Molecular FormulaC14H18O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
IUPAC Name(2E)-2-benzylideneheptanal
Canonical SMILESCCCCC/C(C=O)=Cc1ccccc1
PUBCHEM IUPAC INCHIKEYHMKKIXGYKWDQSV-SDNWHVSQSA-N
Solubility Level2
Vapour Pressure-2.636

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA17.07
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP984.22
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD504.53243
Ocular IrritancyNone
Hepatotoxic#Prediction0
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
1 122-40-7 NA NA NA NA NA
2 122-40-7 NA NA NA NA NA
3 122-40-7 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 122-40-7 Alpha-Amylcinnamaldehyde

Compound Image


2D Structure

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