The 2,4-Hexadiene,2,5-dimethyl-, with the CAS registry number 764-13-6, is also known as Biisobutenyl. It belongs to the product categories of Acyclic; Alkenes; Organic Building Blocks; Aliphatics; Intermediates & Fine Chemicals; Mutagenesis Research Chemicals; Pharmaceuticals. Its EINECS number is 212-115-5. This chemical's molecular formula is C₈H₁₄ and molecular weight is 110.20. What's more, its systematic name is 2,5-dimethylhexa-2,4-diene. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. This chemical is a volatile alkyl compound present in tobacco smoke. It is used as a potential biomarker in breath for prediction of lung cancer.

Physical properties of 2,4-Hexadiene,2,5-dimethyl- are: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 4.01; (5)ACD/BCF (pH 5.5): 658.76; (6)ACD/BCF (pH 7.4): 658.76; (7)ACD/KOC (pH 5.5): 3624.49; (8)ACD/KOC (pH 7.4): 3624.49; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.44; (13)Molar Refractivity: 38.91 cm³; (14)Molar Volume: 147.4 cm³; (15)Polarizability: 15.42×10^-24cm³; (16)Surface Tension: 21.4 dyne/cm; (17)Density: 0.747 g/cm³; (18)Flash Point: 29.4 °C; (19)Enthalpy of Vaporization: 35.66 kJ/mol; (20)Boiling Point: 134.5 °C at 760 mmHg; (21)Vapour Pressure: 9.95 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-bromo-2-methyl-propene at the temperature of 20 °C. This reaction will need reagents NiBr₂(PPh₃)₂, PPh₃, zinc and solvent acetonitrile with the reaction time of 6 hours. The yield is about 75%.

Uses of 2,4-Hexadiene,2,5-dimethyl-: it can be used to produce 2,5-dimethyl-2,5-dinitro-hex-3t-ene. It will need reagent NO₂ and solvent hexane with the reaction time of 5 min. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, so you should keep it away from sources of ignition - No smoking. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: C(=C\C=C(/C)C)(\C)C
(2)Std. InChI: InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3
(3)Std. InChIKey: DZPCYXCBXGQBRN-UHFFFAOYSA-N