Dimethyl succinate Dimethyl succinate
Structural formula
| Business number | 02TW |
|---|---|
| Molecular formula | C6H10O4 |
| Molecular weight | 146.14 |
| label |
dimethyl succinate, dimethyl succinate, Methyl succinate, Methyl succinate, Dimethyl succinate/dimethyl succinate, 1,4-Butanedioic acid,dimethylester, CH3OC(O)CH2CH2C(O)OCH3, DBE-4, Dimethyl ester of succinic acid, Dimethyl1,4-butanedioate, Methyl butanedioate, Methyl Succinate, FEMA 2396 |
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℃): 1.079158.7
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.