Docosene Details

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Physical and Chemical properties

PUBCHEM ID	74138
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	308.585
Molecular Formula	C22H44
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	19
IUPAC Name	docos-1-ene
Canonical SMILES	C=CCCCCCCCCCCCCCCCCCCCC
PUBCHEM IUPAC INCHIKEY	SPURMHFLEKVAAS-UHFFFAOYSA-N
Solubility Level	1
Vapour Pressure	-5.556

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	0
BBB Level	4
Absorption Level	3
EXT PPB#Prediction	1
AlogP98	10.017
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	Non-Toxic
Rat Oral LD50	7.64046 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				1599-67-3	Docosene

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Periwinkle, Sadabahar, Sadafuli	Dhawal	Catharanthus roseus dhawal essential oil
2	Periwinkle, Sadabahar, Sadafuli	Nirmal	Catharanthus roseus nirmal essential oil