AromaDb: A Database of Plant's Aroma Molecules

Decyl propionate Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
5454-19-3
:Description

:Fragrance Type
fatty

Physical and Chemical properties

PUBCHEM ID229385
Molecular Weight (mg/mol)214.351
Molecular FormulaC13H26O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
IUPAC Name
Canonical SMILESCCCCCCCCCCOC(=O)CC
PUBCHEM IUPAC INCHIKEYHUOYUOXEIKDMFT-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-1.89

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA52.6
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP984.753
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD506.68067
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 5454-19-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 5454-19-3 Decyl propionate

Compound Image


2D Structure

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