Oxalacetic acid

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: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.