AromaDb: A Database of Plant's Aroma Molecules

2-Decen-1-al Details

: IUPAC Name
2-Decenal
:Chemical Class
:CAS Registry Number
3913-81-3
:Description

:Fragrance Type
orange aroma

Physical and Chemical properties

PUBCHEM ID5283345
Molecular Weight (mg/mol)154.254
Molecular FormulaC10H18O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
IUPAC Name2-Decenal
Canonical SMILESCCCCCCC/C=C/C=O
PUBCHEM IUPAC INCHIKEYMMFCJPPRCYDLLZ-CMDGGOBGSA-N
Solubility Level3
Vapour Pressure-0.807

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA37.29
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP983.654
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 LD503.20854
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 3913-81-3
2 3913-81-3
3 3913-81-3
4 3913-81-3
5 3913-81-3
6 3913-81-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 3913-81-3 2-Decen-1-al

Compound Image


2D Structure

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