AromaDb: A Database of Plant's Aroma Molecules

Butyl 2-decenoate Details

: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
fruity aroma??????

Physical and Chemical properties

PUBCHEM ID73555259
Molecular Weight (mg/mol)226.362
Molecular FormulaC14H26O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
IUPAC Name
Canonical SMILESCCCCCCC/C=C/C(=O)OCCCC
PUBCHEM IUPAC INCHIKEYDTCZJIDFDTTXSG-VAWYXSNFSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA43.37
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP985.186
EXT CYP2D6#Prediction1

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 LD505.27241
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Butyl 2-decenoate

Compound Image


2D Structure

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