Diglycolic acid Diglycolic Acid
Structural formula
| Business number | 032L |
|---|---|
| Molecular formula | C4H6O5 |
| Molecular weight | 134.09 |
| label |
Diglycolic acid, Diethylene glycol acid, diglycolic acid, glycolic acid, Oxodiacetic acid, Oxidized diacetic acid, 3-Oxapentanedioic acid, complexing agent, plasticizer, aliphatic compounds |
Numbering system
CAS number:110-99-6
MDL number:MFCD00004309
EINECS number:203-823-5
RTECS number:AJ1530000
BRN number:1072117
PubChem number:24863084
Physical property data
1. Properties: Colorless or white oblique prismatic crystals
2. Density (g/mL, 20℃): Undetermined
3. Relative vapor density (g /mL, air=1): Undetermined
4. Melting point (ºC): 142-145
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): 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
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19 . Solubility: Soluble in water and ethanol, slightly soluble in ether.
Toxicological data
1. Acute toxicity: Rat oral LD5O: 500mg/kg
Ecological data
This substance may be harmful to the environment and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 25.45
2. Molar volume (cm3/mol): 90.1
3. Isotonic specific volume (90.2K ): 254.5
4. Surface tension (dyne/cm): 63.4
5. Polarizability (10-24cm3): 10.09
Compute chemical data
1. Hydrophobic parameter calculation��Reference value (XlogP): -0.7
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 5
4 , Number of rotatable chemical bonds: 4
5, Number of tautomers:
6, Topological molecular polar surface area (TPSA): 83.8
7 , Number of heavy atoms: 9
8, Surface charge: 0
9, Complexity: 104
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
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14. Number of uncertain stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
It does not decompose under normal temperature and pressure. Contact with strong oxidants is prohibited.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None yet
Purpose
Mainly used in complexing agents, synthetic resins, manufacturing plasticizers, and organic synthesis.
