(Z,E)-Alpha-Farnesene Details

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Physical and Chemical properties

PUBCHEM ID	5362889
Molecular Weight (g/mol)	204.351
Molecular Formula	C15H24
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
IUPAC Name	(3Z,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
Canonical SMILES	C=C/C(C)=C/C/C=C(C)/CC/C=C(C)/C
PUBCHEM IUPAC INCHIKEY	CXENHBSYCFFKJS-OXYODPPFSA-N
Solubility Level	2
Vapour Pressure	-1.924

Absorption and Metabolism information

XLOGP3 AA	6.1
CACTVS TPSA	0
BBB Level	0
Absorption Level	1
EXT PPB#Prediction	1
AlogP98	5.46
EXT CYP2D6#Prediction	1

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Multi-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	5.24511 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	Moderate
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	Hook		Cymbopogon microstachys essential oil
2	Lemon balm		Melissa officinalis essential oil