1,3-Dioxolane (646-06-0)

The 1,3-Dioxolane, with the cas registry number 646-06-0, is a kind of clear colourless liquid. This is completely soluble in water and soluble in alcohol, ether, and benzene. And it could be easily ignited by heat, sparks or flames, and the vapor may form explosive mixtures with air. In addition, its product categories are various, including Dioxanes & Dioxolanes; Dioxolanes; Intermediates & Fine Chemicals; Pharmaceuticals.

The characteristics of this chemical are as follows: (1)ACD/LogP: -0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.73; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.61; (8)ACD/KOC (pH 7.4): 9.61; (9)#H bond acceptors: 2; (10)Polar Surface Area: 18.46; (11)Index of Refraction: 1.396; (12)Molar Refractivity: 17.04 cm³; (13)Molar Volume: 70.8 cm³; (14)Polarizability: 6.75 ×10^-24 cm³; (15)Surface Tension: 32.7 dyne/cm; (16)Density: 1.046 g/cm³; (17)Flash Point: 1.7 °C; (18)Enthalpy of Vaporization: 30.36 kJ/mol; (19)Boiling Point: 75.6 °C at 760 mmHg; (20)Vapour Pressure: 115 mmHg at 25°C; (21)Exact Mass: 74.036779; (22)MonoIsotopic Mass: 74.036779; (23)Topological Polar Surface Area: 18.5; (24)Heavy Atom Count: 5; (25)Formal Charge: 0; (26)Complexity: 24.1.

The production methods of this chemical are as below: The first way: have the reaction of paraformaldehyde and ethylene glycol. The second way: paraformaldehyde could react with ethylene glycol with the existence of concentrated sulfuric acid, and then go through salting out with sodium chloride, soild sodium hydroxide and drying, and then rectifying to get this chemical.

As to its usage, it is widely applied in many ways. It could be used as the solvent and extractant for oil and axunge, and as the silk finishing agent or sealing rubber; It could also be used as the galvanolysis solvent of lithium battery, stabilizing agent, and the intermediate for Acyclovir-d4.

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1COCO1
(2)InChI: InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2
(3)InChIKey: WNXJIVFYUVYPPR-UHFFFAOYSA-N 

Below are the toxicity information of this chemical: