|CAS No.||646-06-0||Density||1.046 g/cm3|
|Solubility||Soluble in water||Melting Point||
|Formula||C3H6O2||Boiling Point||75.6 °C at 760 mmHg|
|Molecular Weight||74.08||Flash Point||1.7 °C|
|Transport Information||UN 1166 3/PG 2||Appearance||Colourless liquid|
|Molecular Structure||Hazard Symbols||F|
1,3-Dioxolan;1,3-Dioxole, dihydro-;Ethylene glycol formal;5-Crown-2;Glycol methylene ether;Formal glycol;Dioxolan [Czech];Dioxolane;Glycol formal;1,3-Dioxacyclopentane;
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.It is highly flammable. When exposed to air 1,3-Dioxolane undergoes autooxidation with formation of peroxides. In the distillation process peroxides will concentrate causing violent explosion. Soluble in water.
Properties of 1,3-Dioxolane:
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.
Structure Descriptors of 1,3-Dioxolane:
(1)Canonical SMILES: C1COCO1
Toxicity of 1,3-Dioxolane is as follows:
|Organism||Test Type||Route||Reported Dose (Normalized Dose)||Effect||Source|
|mouse||LC50||inhalation||10500mg/m3/2H (10500mg/m3)||"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 70, 1982.|
|mouse||LD50||oral||3200mg/kg (3200mg/kg)||"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 70, 1982.|
|rabbit||LCLo||inhalation||32000ppm/4H (32000ppm)||Union Carbide Data Sheet. Vol. 12/17/1971,|
|rabbit||LD50||oral||5200mg/kg (5200mg/kg)||National Technical Information Service. Vol. OTS0537791,|
|rabbit||LD50||skin||8480uL/kg (8.48mL/kg)||Union Carbide Data Sheet. Vol. 12/17/1971,|
|rat||LC50||inhalation||20650mg/m3/4H (20650mg/m3)||"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 70, 1982.|
|rat||LD50||oral||3gm/kg (3000mg/kg)||Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.|
|rat||LD50||skin||15gm/kg (15000mg/kg)||National Technical Information Service. Vol. OTS0537791,|
|rat||LDLo||intraperitoneal||500mg/kg (500mg/kg)||BEHAVIORAL: GENERAL ANESTHETIC |
GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED
|Journal of Pharmacy and Pharmacology. Vol. 11, Pg. 150, 1959. |
Preparation of 1,3-Dioxolane
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.
Use of 1,3-Dioxolane
The production methods of 1,3-Dioxolane are as below: 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.
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