2-Methyldocosane Details

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Physical and Chemical properties

PUBCHEM ID	519145
Molecular Weight (g/mol)	324.627
Molecular Formula	C23H48
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	19
IUPAC Name	2-methyldocosane
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCC(C)C
PUBCHEM IUPAC INCHIKEY	AISQJRLSHDWVGU-UHFFFAOYSA-N
Solubility Level	0
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA	12.4
CACTVS TPSA	0
BBB Level	4
Absorption Level	3
EXT PPB#Prediction	1
AlogP98	10.659
EXT CYP2D6#Prediction	0

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	11.5478 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

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Night-flowering Jasmine		Nyctanthes essential oil
2	Night-flowering Jasmine		Nyctanthes essential oil