Benzene,1,1’-(1,5-Hexadiene-1,6-Diyl)Bis Details

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Physical and Chemical properties

PUBCHEM ID	5370615
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	234.336
Molecular Formula	C18H18
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
IUPAC Name	[(1E,5E)-6-phenylhexa-1,5-dienyl]benzene
Canonical SMILES	C(=Cc1ccccc1)/CC/C=C/c2ccccc2
PUBCHEM IUPAC INCHIKEY	GXBNHFMSIXKWHZ-YDWXAUTNSA-N
Solubility Level	2
Vapour Pressure	-4.171

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	0
BBB Level	0
Absorption Level	1
EXT PPB#Prediction	1
AlogP98	5.196
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Multi-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Single-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	2.10683 g/kg_body_weight
Ocular Irritancy	None
Hepatotoxic#Prediction	0
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Non-Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Mild
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					Benzene,1,1’-(1,5-Hexadiene-1,6-Diyl)Bis

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