Ecosanol Details

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Physical and Chemical properties

PUBCHEM ID	12404
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	298.547
Molecular Formula	C20H42O
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	18
IUPAC Name	icosan-1-ol
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCO
PUBCHEM IUPAC INCHIKEY	BTFJIXJJCSYFAL-UHFFFAOYSA-N
Solubility Level	2
Vapour Pressure	-6.278

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	20.2
BBB Level	4
Absorption Level	3
EXT PPB#Prediction	1
AlogP98	8.269
EXT CYP2D6#Prediction	1

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	Toxic
Rat Oral LD50	11.909 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	Mild
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				629-96-9	Ecosanol

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Rajanigandha		Polianthes tuberosa essential oil
2	Rose, Damask Rose	Noorjahan	Rosa damascena Noorjahan essential oil