Structural formula
Business number | 02XG |
---|---|
Molecular formula | C8H12O5 |
Molecular weight | 188.18 |
label |
Diethyl oxalacetate, Diethyl oxaloacetate, Oxalacetic Acid Diethyl Ester, Diethyl Oxalacetate, Ethyl Oxalacetate, Ethyl Ethoxalylacetate, [P-Sulfophenyl] Hydrazone, Diethyl 2-Oxosuccinate, Oxalacetatediethyl, 2-Oxobutanedioic Acid Diethyl Ester |
Numbering system
CAS number:108-56-5
MDL number:MFCD00059229
EINECS number:203-594-1
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Properties: colorless liquid, acidic.
2. Density (g/mL, 25℃): 1.14
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 1mm Hg): 87
7. Refractive index (D20): Not determined
8. Flash point (ºC): Not determined
9. Specific rotation (ºC): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, ºC ): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined Determined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Insoluble in water, miscible with ethanol, ether, benzene, etc.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 42.69
2. Molar volume (cm3/mol): 164.6
3. Isotonic specific volume (90.2K ): 404.9
4. Surface tension (dyne/cm): 36.5
5. Polarizability (10-24cm3): 16.92
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.8
2. Hydrogen bondingNumber of compounds: 0
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 7
5. Tautomers Number: 3
6. Topological molecule polar surface area 69.7
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 209
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain Number of atomic stereocenters: 0
13. Determined number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15 .Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
The preparation method is to add ethyl acetate, ethyl oxalate and sodium ethoxide into a three-necked flask, react to obtain diethyl oxaloacetate salt, and then acidify to obtain diethyl oxaloacetate.
Purpose
Diethyl oxaloacetate is an intermediate of the herbicide imidazolin. Organic synthesis intermediate, used in the production of leucine.