AromaDb: A Database of Plant's Aroma Molecules

Hexadecyl Vinyl Ether Details

: IUPAC Name
1-ethenoxyhexadecane
:Chemical Class
:CAS Registry Number
822-28-6
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID69971
Molecular Weight (mg/mol)268.478
Molecular FormulaC18H36O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count16
IUPAC Name1-ethenoxyhexadecane
Canonical SMILESC=COCCCCCCCCCCCCCCCC
PUBCHEM IUPAC INCHIKEYUKDKWYQGLUUPBF-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-4.495

Absorption and Metabolism information

XLOGP3 AA8.6
CACTVS TPSA9.2
BBB Level0
Absorption Level3
EXT PPB#Prediction1
AlogP987.124
EXT CYP2D6#Prediction1

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD5015.1741 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 822-28-6
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 822-28-6 Hexadecyl Vinyl Ether

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures