AromaDb: A Database of Plant's Aroma Molecules

1-Hexadecene Details

: IUPAC Name
hexadec-1-ene
:Chemical Class
Alkene
:CAS Registry Number
629-73-2
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID12395
Molecular Weight (mg/mol)224.425
Molecular FormulaC16H32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count13
IUPAC Namehexadec-1-ene
Canonical SMILESC=CCCCCCCCCCCCCCC
PUBCHEM IUPAC INCHIKEYGQEZCXVZFLOKMC-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-2.855

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA0
BBB Level4
Absorption Level3
EXT PPB#Prediction1
AlogP987.28
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 ToxicityNon-Toxic
Rat Oral LD503.82663 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
1 629-73-2 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 629-73-2 1-Hexadecene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Rajanigandha Polianthes tuberosa essential oil
2 Sweet violet Viola odorata essential oil

Compound Image


2D Structure

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(External database - ChemAxon)