Carbonicacid, diethyl ester

The Diethyl carbonate is an organic compound with the formula C₅H₁₀O₃. The IUPAC name of this chemical is diethyl carbonate. With the CAS registry number 105-58-8, it is also named as carbonic acid, diethyl ester. The product's categories are Pharmaceutical Intermediates; Organics; Carbonates; Others; Protecting and Derivatizing Reagents; Protection and Derivatization; Carbonates Materials Science; Alternative Energy; Carbonyl Compounds; Electrolytes; Organic Building Blocks; Electrolytes Protection and Derivatization; Materials Science. Besides, it is a colourless liquid with a mild odour, which should be stored in a cool and ventilated place. It is mainly used as a solvent for cellulose ethers, nitro cellulose, natural and synthetic resin. And it is also used for the synthesis of phenobarbital, pyrethrum esters.

Physical properties about Diethyl carbonate are: (1)ACD/LogP: 1.21; (2)ACD/LogD (pH 5.5): 1.21; (3)ACD/LogD (pH 7.4): 1.21; (4)ACD/BCF (pH 5.5): 4.89; (5)ACD/BCF (pH 7.4): 4.89; (6)ACD/KOC (pH 5.5): 108.45; (7)ACD/KOC (pH 7.4): 108.45; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 35.53 Å²; (11)Index of Refraction: 1.391; (12)Molar Refractivity: 28.73 cm³; (13)Molar Volume: 120.9 cm³; (14)Polarizability: 11.39×10^-24cm³; (15)Surface Tension: 26.9 dyne/cm; (16)Density: 0.976 g/cm³; (17)Flash Point: 31.1 °C; (18)Enthalpy of Vaporization: 36.46 kJ/mol; (19)Boiling Point: 126.8 °C at 760 mmHg; (20)Vapour Pressure: 11.5 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,1-diethoxy-ethene. This reaction will need reagent O₃ and solvent pentane. The reaction  temperature is 0 °C. The yield is about 59%.

Uses of Diethyl carbonate: it can be used to produce 3-ethyl-4-methyl-5-phenyl-3H-oxazol-2-one at temperature of 180 °C. It will need reagent K₂CO₃ with reaction time of 330 min. The yield is about 35%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and toxic by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)OCC
(2)InChI: InChI=1/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3
(3)InChIKey: OIFBSDVPJOWBCH-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3
(5)Std. InChIKey: OIFBSDVPJOWBCH-UHFFFAOYSA-N

The toxicity data is as follows: