1-dodecene Details
:
IUPAC Name
dodec-1-ene
:Chemical Class
Alkene
:CAS Registry Number
:Description
1-Dodecene is a transparent, colorless liquid with a faint, pleasant scent. It does not dissolve in water and remains afloat on the surface. Ingesting the substance can be toxic or even deadly. Breathing in its vapors may cause lung irritation or injury, and exposure to high levels could lead to narcotic-like effects.
:Fragrance Type
pleasnat odor
Physical and Chemical properties
| PUBCHEM ID | 8183 |
| Molecular Weight (g/mol) | 168.32 |
| Molecular Formula | C12H24 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 9 |
| IUPAC Name | dodec-1-ene |
| Canonical SMILES | CCCCCCCCCCC=C |
| PUBCHEM IUPAC INCHIKEY | CRSBERNSMYQZNG-UHFFFAOYSA-N |
| Solubility Level | 2 |
| Vapour Pressure |
Absorption and Metabolism information
| XLOGP3 AA | 6.8 |
| CACTVS TPSA | 0 |
| BBB Level | 0 |
| Absorption Level | 1 |
| EXT PPB#Prediction | TRUE |
| AlogP98 | 5.455 |
| EXT CYP2D6#Prediction | TRUE |
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 | 2.41985 g/kg_body_weight |
| Ocular Irritancy | None |
| Hepatotoxic#Prediction | FALSE |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Moderate |
| Environmental hazards | not classified |
Compound Biological Activity
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| 11 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
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Compound Image
2D Structure
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