(E,E)-Farnesol Details

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Physical and Chemical properties

PUBCHEM ID	445070
Molecular Weight (g/mol)	222.366
Molecular Formula	C15H26O
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
IUPAC Name	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Canonical SMILES	C/C(C)=CCC/C(C)=C/CC/C(C)=C/CO
PUBCHEM IUPAC INCHIKEY	CRDAMVZIKSXKFV-YFVJMOTDSA-N
Solubility Level	3
Vapour Pressure	-3.325

Absorption and Metabolism information

XLOGP3 AA	4.8
CACTVS TPSA	20.2
BBB Level	0
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	4.76
EXT CYP2D6#Prediction	0

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	5.96636 g/kg_body_weight
Ocular Irritancy	None
Hepatotoxic#Prediction	0
Effected Human Genes	NR1H4 , RDH16 , ISYNA1 , HMGCR , MAOB , AKR1B10 , AKR1C3 , IVL , CACNA1B , MVK , PCYT1A , FDFT1 , RHOA , RELA , IL6 , NR1H2 , ESR1 , NR1H3 , MAP2K1 , MAPK1 , GSR , PPARA , NFKB1 , BAK1 , TLR6

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	Curry tree		Murraya koenigii essential oil
2	Blackcurrant		Ribes nigrum essential oil
3	Frangipani		Plumeria obtusa essential oil
4	Frangipani		Plumeria obtusa essential oil