1,5-Hexadiene

The 1,5-Hexadiene, with the CAS registry number 592-42-7 and EINECS registry number 209-754-7, has the systematic name of hexa-1,5-diene. It is a kind of clear colorless to slightly yellow liquid, and belongs to the following product categories: Acyclic; Alkenes; Organic Building Blocks. And the molecular formula of this chemical is C₆H₁₀. What's more, it should be stored at 0-6°C.

The physical properties of 1,5-Hexadiene are as followings: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 78.93; (6)ACD/BCF (pH 7.4): 78.93; (7)ACD/KOC (pH 5.5): 793.72; (8)ACD/KOC (pH 7.4): 793.72; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 29.29 cm³; (15)Molar Volume: 117.7 cm³; (16)Polarizability: 11.61×10^-24cm³; (17)Surface Tension: 19.9 dyne/cm; (18)Density: 0.697 g/cm³; (19)Enthalpy of Vaporization: 28.82 kJ/mol; (20)Boiling Point: 58 °C at 760 mmHg; (21)Vapour Pressure: 226 mmHg at 25°C.

Preparation and uses of 1,5-Hexadiene: This chemical can be prepared by 3-chloro-1-propylene and magnesium. Drop Anhydrous 3-chloro-1-propylene and anhydrous ether solution into the reaction flask in the presence of magnesium chips, then add iodine with stiring. Drop 5 % cold hydrochloric acid solution to dissove the magnesium chloride. Skim the solution and get the ether extract, and then distillate, washing and dry. Collect 59-60 °C distillation cut after fractionation, and that is the 1,5-Hexadiene. And this chemical is usually used in the organic synthesis.

You should be cautious while dealing with this chemical. It is a kind of flammble chemical which irritates eyes, respiratory system and skin. What's more, it may cause lung damage if swallowed.Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1)SMILES: C=C\CC\C=C
(2)InChI: InChI=1/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2
(3)InChIKey: PYGSKMBEVAICCR-UHFFFAOYAB

The toxicity data is as follows: