Dimethyl succinate Dimethyl succinate

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:106-65-0

MDL number:MFCD00008466

EINECS number:203-419-9

RTECS number:WM7675000

BRN number:956776

PubChem ID:None

Physical property data

1. Properties: colorless to light yellow liquid (at room temperature), solidifies after cooling.

2. Density (g/mL, 25℃): 1.117

3. Relative density (25℃, 4℃): 1.0791^58.7

4. Melting point (ºC): 19

5. Boiling point (ºC, normal pressure): 200

6. Relative density (20℃, 4℃): 1.1198

7. Refractive index (_D²⁰): 1.4197

8. Flash point (ºC): 85 p>

9. Specific rotation (ºC): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg , 20ºC): 0.3

12. Saturated vapor pressure (kPa, 20ºC): 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): 8.5

18. Explosion lower limit (%, V/V): 1

19 . Solubility: Slightly soluble in water (1%), soluble in ethanol (3%), miscible in oils.

Toxicological data

1. Acute toxicity: Rat oral LD50: >5mg/kg; rabbit skin contact LD50: >5mg/kg;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 33.39

2.  Molar volume (cm³/mol): 134.5

3. Isotonic specific volume (90.2K): 320.3

4. Surface tension (dyne/cm ): 32.1

5. Polarizability (10-24cm3): 13.23

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 52.6

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 114

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

Avoid contact with oxides and acids.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. It should not be stored in large quantities or for long periods of time. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

It is produced by esterification of succinic acid and methanol under the action of concentrated sulfuric acid.

Purpose

Used in organic synthesis. It can also be used as a gas chromatography comparison sample.