AromaDb: A Database of Plant's Aroma Molecules

4-Decenoic Acid Details

: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
57602-94-5
:Description

:Fragrance Type
fruity aroma??????

Physical and Chemical properties

PUBCHEM ID93732
Molecular Weight (mg/mol)170.254
Molecular FormulaC10H18O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
IUPAC Name
Canonical SMILESCCCCC/C=C/CCC(=O)O
PUBCHEM IUPAC INCHIKEYXKZKQTCECFWKBN-VOTSOKGWSA-N
Solubility Level3
Vapour Pressure-2.819

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA20.23
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.211
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 LD502.81969
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

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 57602-94-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 57602-94-5 4-Decenoic Acid

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures