Isoprene is an organic compound with the formula C₅H₈, and its systematic name is the same with the product name. With the CAS registry number 78-79-5, it is also named as 2-Methyl-1,3-butadiene. Its EINECS number is 201-143-3. In addition, the molecular weight is 68.12. Its classification codes are: (1)Mutation data; (2)Tumor data. This product should be sealed and stored in a cool place. Moreover, it should be protected from light, heat and fire. It is highly volatile because of its low boiling point. It is the most abundant hydrocarbon measurable in the breath of humans. This compound was first isolated by thermal decomposition of natural rubber. It is most readily available industrially as a byproduct of the thermal cracking of naphtha or oil, as a side product in the production of ethylene. This chemical is used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers. 

Physical properties of Isoprene are: (1)ACD/LogP: 2.347; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.78; (6)ACD/BCF (pH 7.4): 35.78; (7)ACD/KOC (pH 5.5): 450.51; (8)ACD/KOC (pH 7.4): 450.51; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.4; (13)Molar Refractivity: 24.507 cm³; (14)Molar Volume: 101.058 cm³; (15)Polarizability: 9.715×10^-24cm³; (16)Surface Tension: 17.02 dyne/cm; (17)Density: 0.674 g/cm³; (18)Flash Point: -40.843 °C; (19)Enthalpy of Vaporization: 26.765 kJ/mol; (20)Boiling Point: 34.059 °C at 760 mmHg; (21)Vapour Pressure: 548.96 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-but-3-en-2-ol at the temperature of 20 °C. This reaction will need reagent N,N-diisopropyl-1-fluoro-2-methylpropenamine and solvent CHCl₃. The yield is about 71%.

Uses of Isoprene: it can be used to produce 4-methyl-cyclohex-3-enecarbaldehyde at the ambient temperature. It will need reagent methylrhenium trioxide and solvent H₂O with the reaction time of 2.5 hours. The yield is about 91%.

When you are using this chemical, please be cautious about it as the following:
This chemical is extremely flammable. It may cause cancer and has a possible risk of irreversible effects. This compound is harmful to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. In case of accident or if you feel unwell, you need to seek medical advice immediately (show the label where possible). It should be avoided exposure, and you need to obtain special instructions before use. You must avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=C)C=C
(2)Std. InChI: InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
(3)Std. InChIKey: RRHGJUQNOFWUDK-UHFFFAOYSA-N

The toxicity data is as follows: