Oxalacetic acid
Structural formula
| Business number | 0484 |
|---|---|
| Molecular formula | C4H4O5 |
| Molecular weight | 132.07 |
| label |
oxaloacetate, Oxosuccinic acid, 2-carbonylsuccinic acid, Oxaloacetic acid/Methyl ketonedioic acid, Acid oxalic acid, Oxobutanedioic acid, Ketosuccinic acid, 2-Oxosuccinic acid, acidic solvent |
Numbering system
CAS number:328-42-7
MDL number:MFCD00002592
EINECS number:206-329-8
RTECS number:None
BRN number:1705475
PubChem ID:None
Physical property data
1. Properties: unstable liquid, its methyl ester is colorless crystal.
2. Density (g/mL, 25/4℃): 1.631
3. Relative vapor density (g/mL, air =1): Not available
4. Melting point (ºC): 161 (dec)
5. Boiling point (ºC, normal pressure) : 341.9
6. Boiling point (ºC, 5.2kPa): Not available
7. Refractive index: Not available
8 . Flash point (ºC): 889. Specific rotation (º): Not available10. Autoignition point or ignition temperature (ºC): Not available
11. Vapor pressure (kPa, 25ºC): Not available
12. Saturated vapor pressure (kPa, 60ºC): Not available
13. Heat of combustion (KJ/mol): Not available Use
14. Critical temperature (ºC): Not available
15. Critical pressure (KPa): Not available
16. Log value of oil-water (octanol/water) partition coefficient: Not available
17. Explosion upper limit (%, V/V): Not available
18. Lower explosion limit (%, V/V): Not available
19. Solubility: Not available
Toxicological data
2. Toxicological data:
Acute toxicity: Not available.
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 23.73
2. Molar volume (cm3/mol): 80.9
3. Isotonic specific volume (90.2K ): 239.9
4. Surface tension (dyne/cm): 77.2
5. Polarizability (10-24cm3): 9.41
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -0.6
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 5
4. Rotatable chemistry��Number: 3
5. Number of tautomers: 3
6. Topological molecule polar surface area 91.7
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 158
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. Found in tobacco leaves.
Storage method
Storage temperature 4ºC
Synthesis method
It can be prepared by hydrolyzing diethyl oxaloacetate sodium salt and concentrated hydrochloric acid.
Purpose
It is an important compound involved in the aerobic decomposition of sugar. It condenses with acetyl-CoA to form citric acid and CoA, which initiates the reaction of the tricarboxylic cycle.
