Diglycolic acid Diglycolic 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: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.