AromaDb: A Database of Plant's Aroma Molecules

Methyl Linolenate Details

: IUPAC Name
methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
:Chemical Class
:CAS Registry Number
301-00-8
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID5319706
Molecular Weight (mg/mol)292.456
Molecular FormulaC19H32O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
IUPAC Namemethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Canonical SMILESCC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC
PUBCHEM IUPAC INCHIKEYDVWSXZIHSUZZKJ-YSTUJMKBSA-N
Solubility Level2
Vapour Pressure-5.193

Absorption and Metabolism information

XLOGP3 AA6.2
CACTVS TPSA26.3
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP986.197
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 LD506.30391 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
1 301-00-8
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 301-00-8 Methyl Linolenate

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Gurmari Gymnema sylvestre essential oil
2 Henna Lawsonia inermis essential oil

Compound Image


2D Structure

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