Benzene,1,1’-(1,5-Hexadiene-1,6-Diyl)Bis Details
:
IUPAC Name
[(1E,5E)-6-phenylhexa-1,5-dienyl]benzene
:Chemical Class
Alkene
:CAS Registry Number
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 5370615 |
| 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 |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | ||||||
| 2 | ||||||
| 3 |
| 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 |
Compound Image
Bis.png)
2D Structure
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