AromaDb: A Database of Plant's Aroma Molecules

Lauryl acetate Details

: IUPAC Name
dodecyl acetate
:Chemical Class
:CAS Registry Number
112-66-3
:Description

:Fragrance Type
citrus-rose aroma

Physical and Chemical properties

PUBCHEM ID8205
Molecular Weight (mg/mol)228.378
Molecular FormulaC14H28O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
IUPAC Namedodecyl acetate
Canonical SMILESCCCCCCCCCCCCOC(C)=O
PUBCHEM IUPAC INCHIKEYVZWGRQBCURJOMT-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-2.668

Absorption and Metabolism information

XLOGP3 AA5.6
CACTVS TPSA26.3
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP984.999
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 LD5013.5458
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
1 112-66-3 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 112-66-3 Lauryl acetate

Compound Image


2D Structure

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