AromaDb: A Database of Plant's Aroma Molecules

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

: IUPAC Name
(2Z,4E)-deca-2,4-dienal
:Chemical Class
Aldehyde
:CAS Registry Number
:Description

:Fragrance Type
fat

Physical and Chemical properties

PUBCHEM ID6428553
Molecular Weight (mg/mol)152.233
Molecular FormulaC10H16O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
IUPAC Name(2Z,4E)-deca-2,4-dienal
Canonical SMILESCCCCC/C=C/C=C/C=O
PUBCHEM IUPAC INCHIKEYJZQKTMZYLHNFPL-MUIOLIGRSA-N
Solubility Level3
Vapour Pressure-0.759

Absorption and Metabolism information

XLOGP3 AA3.2
CACTVS TPSA17.1
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.21
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 LD502.18372 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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 (E,E)-2,4-Decadienal

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Starflower Borago officinalis essential oil
2 Garden heliotrope Galium odoratum essential oil
3 Yellow bugle Ajuga chamaepitys essential oil

Compound Image


2D Structure

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(External database - ChemAxon)