AromaDb: A Database of Plant's Aroma Molecules

5-Acetoxy-1-pentene Details

: IUPAC Name
4-Pentenylacetate
:Chemical Class
:CAS Registry Number
1576-85-8
:Description

:Fragrance Type
fruity aroma

Physical and Chemical properties

PUBCHEM ID74096
Molecular Weight (mg/mol)128.173
Molecular FormulaC7H12O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
IUPAC Name4-Pentenylacetate
Canonical SMILESC=CCCCOC(C)=O
PUBCHEM IUPAC INCHIKEYLVHDNIMNOMRZMF-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure0.553

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA35.53
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.415
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 ToxicityNon-Toxic
Rat Oral LD503.51516
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 1576-85-8
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1576-85-8 5-Acetoxy-1-pentene

Compound Image


2D Structure

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