Methyl Linolenate Details

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Physical and Chemical properties

PUBCHEM ID	5319706
Molecular Weight (g/mol)	292.456
Molecular Formula	C19H32O2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
IUPAC Name	methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Canonical SMILES	CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC
PUBCHEM IUPAC INCHIKEY	DVWSXZIHSUZZKJ-YSTUJMKBSA-N
Solubility Level	2
Vapour Pressure	-5.193

Absorption and Metabolism information

XLOGP3 AA	6.2
CACTVS TPSA	26.3
BBB Level	0
Absorption Level	1
EXT PPB#Prediction	1
AlogP98	6.197
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Non-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	6.30391 g/kg_body_weight
Ocular Irritancy	None
Hepatotoxic#Prediction	0
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Moderate
Environmental hazards	not classified

About Table Headings

Compound Biological Activity

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Gurmari		Gymnema sylvestre essential oil
2	Henna		Lawsonia inermis essential oil