Isomenthylacetate Details

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Physical and Chemical properties

PUBCHEM ID	6432225
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	198.302
Molecular Formula	C12H22O2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
IUPAC Name	[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate
Canonical SMILES	CC(=O)OC1CC(C)CCC1C(C)C
PUBCHEM IUPAC INCHIKEY	XHXUANMFYXWVNG-JLLWLGSASA-N
Solubility Level	3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA	3.6
CACTVS TPSA	26.3
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	3.158
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Multi-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	5.41977 g/kg_body_weight
Ocular Irritancy	Mild
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

Serial No.	Activity Name	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1					Isomenthylacetate

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Peppermint	CIM-Madhuras	Mentha piperita CIm-Madhuras essential oil
2	Peppermint	CIM-Indus	Mentha piperita CIM-Indus
3	Peppermint	Kukrail	Mentha piperita Kukrail essential oil
4	Peppermint	Pranjal	Mentha piperita Pranjal essential oil
5	Peppermint	Tushar	Mentha piperita Tushar essential oil
6	American wild mint		Mentha essential canadensis essential oil