2,5-Dimethyl-2,4-hexadiene CAS#764-13-6
Electron-Rich Alkene Structure: 2,5-Dimethyl-2,4-hexadiene possesses an electron-rich double-bond system, making it a valuable substrate for a variety of organic reactions.
Useful in Photochemical Research: The compound has been studied for its role in the photodechlorination of 9,10-dichloroanthracene, demonstrating its applicability in photochemical investigations.
Suitable for Catalytic Transformation Studies: It has been successfully employed in asymmetric cyclopropanation reactions catalyzed by copper-bisoxazoline complexes, highlighting its utility in advanced synthetic chemistry.
Versatile Research Reagent: 2,5-Dimethyl-2,4-hexadiene has been investigated as a singlet oxygen acceptor and in thiol addition reactions, making it useful for mechanistic and reaction-development studies.
2,5-Dimethyl-2,4-Hexadiene CAS#764-13-6
2,5-Dimethyl-2,4-hexadiene is an electron-rich alkene that has attracted significant interest in organic and photochemical research. It has been studied for its ability to promote the photodechlorination of 9,10-dichloroanthracene, and the underlying reaction mechanism has been extensively investigated.
The compound has also been utilized in asymmetric cyclopropanation reactions with tert-butyl diazoacetate, catalyzed by copper-bisoxazoline complexes. In addition, 2,5-dimethyl-2,4-hexadiene has been evaluated as a singlet oxygen acceptor in various solvent systems.
Furthermore, its reactivity toward aromatic and aliphatic thiols has been examined, with detailed studies conducted on the mechanisms of these addition reactions.
2,5-Dimethyl-2,4-hexadiene Chemical Properties
| Melting point | 12 °C |
| Boiling point | 132134°C |
| density | 0.773 g/mL at 25 °C(lit.) |
| vapor density | 3.8 (vs air) |
| vapor pressure | 26.9 mm Hg ( 37.7 °C) |
| refractive index | n20/D 1.476(lit.) |
| Fp | 85 °F |
| storage temp. | Flammables area |
| solubility | Chloroform, Ethyl Acetate |
| form | Oil |
| color | Clear Colourless |
| BRN | 1733342 |
| InChI | 1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3 |
| InChIKey | DZPCYXCBXGQBRN-UHFFFAOYSA-N |
| SMILES | C\C(C)=C/C=C(\C)C |
| LogP | 3.5 |
| CAS DataBase Reference | 764-13-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 2,4-Hexadiene, 2,5-dimethyl-(764-13-6) |
| EPA Substance Registry System | 2,4-Hexadiene, 2,5-dimethyl- (764-13-6) |
Safety Information
| Hazard Codes | Xi,Xn |
| Risk Statements | 10-36/37/38-20/21/22 |
| Safety Statements | 16-26-36-36/37/39 |
| RIDADR | UN 3295 3/PG 3 |
| WGK Germany | 3 |
| Autoignition Temperature | 559 °F |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29012900 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Eye Irrit. 2 |
| Flam. Liq. 3 | |
| Skin Irrit. 2 | |
| STOT SE 3 |
Product Application of 2,5-Dimethyl-2,4-Hexadiene CAS#764-13-6
2,5-Dimethyl-2,4-hexadiene is a volatile alkyl compound that has been identified in tobacco smoke. It has attracted research interest as a potential breath biomarker and has been investigated for its possible application in the prediction and detection of lung cancer.
