AromaDb: A Database of Plant's Aroma Molecules

Nonacosane Details

: IUPAC Name
nonacosane
:Chemical Class
:CAS Registry Number
630-03-5
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID12409
Molecular Weight (mg/mol)408.787
Molecular FormulaC29H60
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count26
IUPAC Namenonacosane
Canonical SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
PUBCHEM IUPAC INCHIKEYIGGUPRCHHJZPBS-UHFFFAOYSA-N
Solubility Level0
Vapour Pressure-8.487

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA0
BBB Level4
Absorption Level3
EXT PPB#Prediction1
AlogP9813.601
EXT CYP2D6#Prediction1

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD5044.0751 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 630-03-5 Nonacosane

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Aromita Acacia caven essential oil

Compound Image


2D Structure

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(External database - ChemAxon)