Docosane Details

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Physical and Chemical properties

PUBCHEM ID	12405
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	310.601
Molecular Formula	C22H46
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	19
IUPAC Name	docosane
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCC
PUBCHEM IUPAC INCHIKEY	HOWGUJZVBDQJKV-UHFFFAOYSA-N
Solubility Level	0
Vapour Pressure	-5.367

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	0
BBB Level	4
Absorption Level	3
EXT PPB#Prediction	1
AlogP98	10.407
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	21.6736 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	Severe
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				629-97-0	Docosane

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Agarwood plant		Aquilaria sinensis
2	Periwinkle, Sadabahar, Sadafuli	Dhawal	Catharanthus roseus dhawal essential oil
3	Periwinkle, Sadabahar, Sadafuli	Nirmal	Catharanthus roseus nirmal essential oil
4	Frangipani		Plumeria obtusa essential oil
5	Frangipani		Plumeria obtusa essential oil
6	Aromita		Acacia caven essential oil
7	Dictamnus albus		Dictamnus albus essential oil