AromaDb: A Database of Plant's Aroma Molecules

Hexadecyl Acetate Details

: IUPAC Name
hexadecyl acetate
:Chemical Class
:CAS Registry Number
629-70-9
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID12393
Molecular Weight (mg/mol)284.477
Molecular FormulaC18H36O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
IUPAC Namehexadecyl acetate
Canonical SMILESCCCCCCCCCCCCCCCCOC(C)=O
PUBCHEM IUPAC INCHIKEYLSTDYDRCKUBPDI-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-4.61

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA26.3
BBB Level0
Absorption Level2
EXT PPB#Prediction1
AlogP986.824
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 LD5021.6371 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
1 629-70-9
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 629-70-9 Hexadecyl Acetate

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Periwinkle, Sadabahar, Sadafuli Dhawal Catharanthus roseus dhawal essential oil

Compound Image


2D Structure

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(External database - ChemAxon)