AromaDb: A Database of Plant's Aroma Molecules

Butyl undecylenate Details

: IUPAC Name
Butyl10-undecenoate
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
fruity

Physical and Chemical properties

PUBCHEM ID54421029
Molecular Weight (mg/mol)240.389
Molecular FormulaC15H28O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
IUPAC NameButyl10-undecenoate
Canonical SMILESCCCCCCCC/C=C/C(=O)OCCCC
PUBCHEM IUPAC INCHIKEYWAUUBMJGDPEQML-OUKQBFOZSA-N
Solubility Level2
Vapour Pressure-3.114

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP985.643
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 LD506.07049
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 undecylenate

Compound Image


2D Structure

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