2,4-DIMETHYL-1,3-PENTADIENE

The 1,3-Pentadiene,2,4-dimethyl-, with the CAS registry number 1000-86-8 and EINECS registry number 213-677-4, has the systematic name of 2,4-dimethylpenta-1,3-diene. It is a kind of clear colorless to light yellow liquid, and belongs to the following product categories: Acyclic; Alkenes; Organic Building Blocks. And the molecular formula of the chemical is C₇H₁₂.

The characteristics of 1,3-Pentadiene,2,4-dimethyl- are as followings: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 263.74; (6)ACD/BCF (pH 7.4): 263.74; (7)ACD/KOC (pH 5.5): 1882.3; (8)ACD/KOC (pH 7.4): 1882.3; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.426; (14)Molar Refractivity: 33.94 cm³; (15)Molar Volume: 132.3 cm³; (16)Polarizability: 13.45×10^-24cm³; (17)Surface Tension: 19.7 dyne/cm; (18)Density: 0.726 g/cm³; (19)Flash Point: 10 °C; (20)Enthalpy of Vaporization: 31.92 kJ/mol; (21)Boiling Point: 93.2 °C at 760 mmHg; (22)Vapour Pressure: 56.8 mmHg at 25°C. 

Uses of 1,3-Pentadiene,2,4-dimethyl-: It can react with propenal to produce 2,2,4-trimethyl-cyclohex-3-enecarbaldehyde. This reaction will need reagent MeAlCl₂, and the menstruum toluene. The reaction time is 1 hour with temperature of -78°C, and the yield is about 97%. 

You should be cautious while dealing with this chemical. It is a kind of flammable chemical, and irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C=C(\C=C(/C)C)C
(2)InChI: InChI=1/C7H12/c1-6(2)5-7(3)4/h5H,1H2,2-4H3
(3)InChIKey: CMSUNVGIWAFNBG-UHFFFAOYAS