AromaDb: A Database of Plant's Aroma Molecules

Decylacetate Details

: IUPAC Name
decyl acetate
:Chemical Class
Ester
:CAS Registry Number
112-17-4
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID8167
Molecular Weight (mg/mol)200.318
Molecular FormulaC12H24O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
IUPAC Namedecyl acetate
Canonical SMILESCCCCCCCCCCOC(C)=O
PUBCHEM IUPAC INCHIKEYNUPSHWCALHZGOV-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.872

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA26.3
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP984.086
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDANon-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD5010.4923 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
1 112-17-4
2 112-17-4
3 112-17-4
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 112-17-4 Decylacetate

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 American wild mint Mentha essential canadensis essential oil

Compound Image


2D Structure

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(External database - ChemAxon)