AromaDb: A Database of Plant's Aroma Molecules

Ecosanol Details

: IUPAC Name
icosan-1-ol
:Chemical Class
Alcohol
:CAS Registry Number
629-96-9
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID12404
Molecular Weight (mg/mol)298.547
Molecular FormulaC20H42O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count18
IUPAC Nameicosan-1-ol
Canonical SMILESCCCCCCCCCCCCCCCCCCCCO
PUBCHEM IUPAC INCHIKEYBTFJIXJJCSYFAL-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-6.278

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA20.2
BBB Level4
Absorption Level3
EXT PPB#Prediction1
AlogP988.269
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 LD5011.909 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
1 629-96-9
2 629-96-9
3 629-96-9
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 629-96-9 Ecosanol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Rajanigandha Polianthes tuberosa essential oil
2 Rose, Damask Rose Noorjahan Rosa damascena Noorjahan essential oil

Compound Image


2D Structure

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(External database - ChemAxon)