AromaDb: A Database of Plant's Aroma Molecules

Methyl Linoleate Details

: IUPAC Name
methyl (9Z,12Z)-octadeca-9,12-dienoate
:Chemical Class
:CAS Registry Number
112-63-0
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID5284421
Molecular Weight (mg/mol)294.472
Molecular FormulaC19H34O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
IUPAC Namemethyl (9Z,12Z)-octadeca-9,12-dienoate
Canonical SMILESCCCCC/C=C/C/C=C/CCCCCCCC(=O)OC
PUBCHEM IUPAC INCHIKEYWTTJVINHCBCLGX-NQLNTKRDSA-N
Solubility Level2
Vapour Pressure-5.303

Absorption and Metabolism information

XLOGP3 AA6.9
CACTVS TPSA26.3
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP986.641
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 LD506.04473 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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 112-63-0 Methyl Linoleate

Compound Image


2D Structure

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