Diethyl glutarate

The Diethyl glutarate, with the CAS registry number 818-38-2, is also known as Ethyl glutarate. It belongs to the product categories of Acids & Esters; C8 to C9; Carbonyl Compounds; Esters. Its EINECS number is 212-451-2. This chemical's molecular formula is C₉H₁₆O₄ and molecular weight is 188.22. What's more, its systematic name is Diethyl glutarate. When using it, you must avoid contact with skin and eyes. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. It is used as solvents, and it is also used as organic synthesis intermediates.

Physical properties of Diethyl glutarate are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.51; (6)ACD/BCF (pH 7.4): 9.51; (7)ACD/KOC (pH 5.5): 174.50; (8)ACD/KOC (pH 7.4): 174.50; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 47.294 cm³; (15)Molar Volume: 184.061 cm³; (16)Polarizability: 18.749×10^-24cm³; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 1.023 g/cm³; (19)Flash Point: 96.111 °C; (20)Enthalpy of Vaporization: 47.33 kJ/mol; (21)Boiling Point: 236.499 °C at 760 mmHg; (22)Vapour Pressure: 0.05 mmHg at 25°C.

Preparation: this chemical can be prepared by pentanedioic acid and ethanol by heating. This reaction will need reagent TsOH and solvent CHCl₃. The yield is about 74%.

Uses of Diethyl glutarate: it can be used to produce ethyl 1-methyl-5-oxo-3-pyrazoline-3-acetate by heating. The reaction time is 2 hours. The yield is about 91%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CCCC(=O)OCC
(2)Std. InChI: InChI=1S/C9H16O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h3-7H2,1-2H3
(3)Std. InChIKey: OUWSNHWQZPEFEX-UHFFFAOYSA-N