Cycloheptanemethanol Details

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Physical and Chemical properties

PUBCHEM ID	71343594
Molecular Weight (g/mol)	198.302
Molecular Formula	C12H22O2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
IUPAC Name	1-(hydroxymethyl)-3-methyl-6-prop-1-en-2-ylcycloheptan-1-ol
Canonical SMILES	C=C(C)C1CCC(C)CC(O)(CO)C1
PUBCHEM IUPAC INCHIKEY	KRAFHOKNGBKXNW-UHFFFAOYSA-N
Solubility Level	4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA	2.6
CACTVS TPSA	40.5
BBB Level	2
Absorption Level	0
EXT PPB#Prediction	0
AlogP98	2.288
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Single-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Multi-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	2.21842 g/kg_body_weight
Ocular Irritancy	Moderate
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	Psyllium, isabgol or isabhghula	Niharika	Plantago ovata Niharika essential oil
2	Psyllium, isabgol or isabhghula	Mayuri	Plantago ovata Mayuri essential oil
3	Psyllium, isabgol or isabhghula	Nimisha	Plantago ovata Nimisha essential oil