Hexadecane Details

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Physical and Chemical properties

PUBCHEM ID	11006
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	226.441
Molecular Formula	C16H34
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	13
IUPAC Name	hexadecane
Canonical SMILES	CCCCCCCCCCCCCCCC
PUBCHEM IUPAC INCHIKEY	DCAYPVUWAIABOU-UHFFFAOYSA-N
Solubility Level	1
Vapour Pressure	-3.081

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	0
BBB Level	4
Absorption Level	3
EXT PPB#Prediction	1
AlogP98	7.67
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	10.8814 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				544-76-3	Hexadecane

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Lavandula angustifolia	Sher-e-Kashmir	Lavandula angustifolia sher-e-Kashmir
2	Periwinkle, Sadabahar, Sadafuli	Dhawal	Catharanthus roseus dhawal essential oil
3	Periwinkle, Sadabahar, Sadafuli	Nirmal	Catharanthus roseus nirmal essential oil
4	Sweet violet		Viola odorata essential oil
5	Fireweed		Crinum latifolium essential oil
6	Semenovia frigida		Semenovia frigida