Methyl Salicylate Details

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Physical and Chemical properties

PUBCHEM ID	4133
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	152.147
Molecular Formula	C8H8O3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
IUPAC Name	methyl 2-hydroxybenzoate
Canonical SMILES	COC(=O)c1ccccc1O
PUBCHEM IUPAC INCHIKEY	OSWPMRLSEDHDFF-UHFFFAOYSA-N
Solubility Level	4
Vapour Pressure	-1.824

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	46.5
BBB Level	2
Absorption Level	0
EXT PPB#Prediction	0
AlogP98	1.443
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Non-Carcinogen
Rat Male FDA	Non-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	1.96784 g/kg_body_weight
Ocular Irritancy	None
Hepatotoxic#Prediction	1
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

Serial No.	Activity Name	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1				119-36-8	Methyl Salicylate

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Scotch spearmint	Mukta	Mentha X gracilis Mukta essential oil
2	Rajanigandha		Polianthes tuberosa essential oil
3	Sweet violet		Viola odorata essential oil
4	Henna		Lawsonia inermis essential oil
5	Garden heliotrope		Galium odoratum essential oil