AromaDb: A Database of Plant's Aroma Molecules

Linoleic Details

: IUPAC Name
(9Z,12Z)-octadeca-9,12-dienoic acid
:Chemical Class
:CAS Registry Number
60-33-3
:Description

:Fragrance Type
grass

Physical and Chemical properties

PUBCHEM ID5280450
Molecular Weight (mg/mol)280.445
Molecular FormulaC18H32O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
IUPAC Name(9Z,12Z)-octadeca-9,12-dienoic acid
Canonical SMILESCCCCC/C=C/C/C=C/CCCCCCCC(=O)O
PUBCHEM IUPAC INCHIKEYOYHQOLUKZRVURQ-HZJYTTRNSA-N
Solubility Level2
Vapour Pressure-6.021

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA37.3
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP986.416
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD503.63285 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
1 60-33-3
2 60-33-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 60-33-3 Linoleic

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Arnica montana Arnica montana essential oil
2 Java cotton Ceiba pentandra essential oil

Compound Image


2D Structure

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(External database - ChemAxon)