AromaDb: A Database of Plant's Aroma Molecules

9-Decenylacetate Details

: IUPAC Name
dec-9-enyl acetate
:Chemical Class
Ester
:CAS Registry Number
50816-18-7
:Description

:Fragrance Type
Flower

Physical and Chemical properties

PUBCHEM ID39801
Molecular Weight (mg/mol)198.302
Molecular FormulaC12H22O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
IUPAC Namedec-9-enyl acetate
Canonical SMILESC=CCCCCCCCCOC(C)=O
PUBCHEM IUPAC INCHIKEYPIQXMYAEJSMANF-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA26.3
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP983.696
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 LD504.53671 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

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 50816-18-7
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 50816-18-7 9-Decenylacetate

Compound Image


2D Structure

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