Diethyl succinate Diethyl succinate

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:123-25-1

MDL number:MFCD00009208

EINECS number:204-612-0

RTECS number:WM7400000

BRN number:907645

PubChem number:24846069

Physical property data

1. Properties: Colorless liquid with a faint pleasant aroma.

2. Boiling point (ºC, 101.3kPa): 217.7

3. Boiling point (ºC, 1.463kPa): 105

3. Melting point (ºC): -21

4. Relative density (g/mL, 20/4ºC): 1.0402

5. Refractive index (20ºC): 1.4201

6. Flash Point (ºC): 90

7. Solubility: Miscible with ethanol and ether, soluble in acetone, insoluble in water.

8. Relative density (25℃, 4℃): 1.0349

9. Refractive index at room temperature (n²⁵): 1.4154³⁰

10. Critical temperature (ºC): 389.85

11. Liquid phase standard hot melt (J·mol^-1·K^-1): 332.3

Toxicological data

1. Acute toxicity: Rat oral LD50: 8530mg/kg

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 42.66

2. Molar volume (cm³/mol): 167.5

3. Isotonic specific volume (90.2K ): 399.8

4. Surface tension (dyne/cm): 32.4

5. Polarizability (10^-24cm³): 16.91

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 52.6

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 135

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and Stability

1. It is flammable and will burn easily when exposed to open flames or high heat.

2. Found in tobacco leaves.

Storage method

None yet

Synthesis method

1. It is prepared by acylation of ethanol and succinic acid; or it is prepared by direct esterification of ethanol and succinic acid in benzene solution in the presence of concentrated sulfuric acid.

2. Preparation method:

In a reaction bottle equipped with a distillation device, add 58g (0.5mol) of succinic acid (2) and 82g of absolute ethanol (1.76mol) , 180mL of benzene dried with metallic sodium, one grain of zeolite, 11mL of sulfuric acid. Heat and reflux for 8 hours. The reactants were poured into excess water, the organic layer was separated, and the aqueous layer was extracted twice with benzene. The organic layers were combined, washed with a small amount of water, and then washed with saturated sodium carbonate solution. Dry over anhydrous sodium sulfate. Fractionate under reduced pressure and collect the fractions at 80~83℃/400Pa to obtain 75g of diethyl succinate (1) with a yield of 85%. ^[1]

Purpose

1. Used as solvent, gas chromatography stationary solution, and food additive.

2. It plays the role of fixative and solution in essence.