AromaDb: A Database of Plant's Aroma Molecules

Arachidic Acid Details

: IUPAC Name
icosanoic acid
:Chemical Class
Acid
:CAS Registry Number
506-30-9
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID10467
Molecular Weight (mg/mol)312.53
Molecular FormulaC20H40O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
IUPAC Nameicosanoic acid
Canonical SMILESCCCCCCCCCCCCCCCCCCCC(=O)O
PUBCHEM IUPAC INCHIKEYVKOBVWXKNCXXDE-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA37.3
BBB Level4
Absorption Level3
EXT PPB#Prediction1
AlogP988.217
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 LD5012.4994 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
1 506-30-9 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 506-30-9 Arachidic Acid

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Cymbopogon Cymbopogon nardus essential oil

Compound Image


2D Structure

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(External database - ChemAxon)