AromaDb: A Database of Plant's Aroma Molecules

(E,E)-2,4-Dodecadienal Details

: IUPAC Name
(2E,4E)-dodeca-2,4-dienal
:Chemical Class
Aldehyde
:CAS Registry Number
21662-16-8
:Description

:Fragrance Type
spice

Physical and Chemical properties

PUBCHEM ID5367530
Molecular Weight (mg/mol)180.287
Molecular FormulaC12H20O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
IUPAC Name(2E,4E)-dodeca-2,4-dienal
Canonical SMILESCCCCCCC/C=C/C=C/C=O
PUBCHEM IUPAC INCHIKEYQKTZBZWNADPFOL-BNFZFUHLSA-N
Solubility Level3
Vapour Pressure-1.695

Absorption and Metabolism information

XLOGP3 AA4.3
CACTVS TPSA17.1
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP984.122
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD502.59685 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

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 21662-16-8
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 21662-16-8 (E,E)-2,4-Dodecadienal

Compound Image


2D Structure

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