DL-diethyl malate
Structural formula
| Business number | 06SW |
|---|---|
| Molecular formula | C8H14O5 |
| Molecular weight | 190.19 |
| label |
diethyl malate, Diethyl hydroxysuccinate, Diethyl malate, DL-Malic acid diethyl ester, C2H5O2CCH2CH(OH)CO2C2H5 |
Numbering system
CAS number:626-11-9
MDL number:MFCD00048556
EINECS number:210-930-0
RTECS number:None
BRN number:None
PubChem number:24901029
Physical property data
1. Characteristics: Colorless or nearly yellow transparent liquid.
2. Density (g/mL,25/4℃): 1.127-1.134
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure): 138
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flashpoint (ºC): 85
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Logarial value of the partition coefficient of water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: miscible with water, ethanol, acetone.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 44.15
2. Molar volume (m3/mol）：165.4
3. isotonic specific volume (90.2K):414.0
4. Surface tension (dyne/cm): 39.2
5. Polarizability（10-24cm3):17.50
Compute chemical data
1. Hydrophobic parameters Calculate reference value (XlogP): 0.1
2. Hydrogen Bonding Number of donors: 1
3. Hydrogen Bonding Number of receptors: 5
4. Rotatable Number of chemical bonds: 7
5. Topological molecule polar surface area (TPSA): 72.8
6. Heavy atoms Quantity: 13
7. Surface charge ：0
8. Complexity ：177
9. Isotope atomic number:0
10. Determine the number of atomic stereocenters:0
11. Uncertain number of atomic stereocenters:0
12, Determine the number of stereocenters of chemical bonds:0
13. Uncertain number of chemical bond stereocenters:0
14. Number of covalent bond units: 1
Properties and stability
Keep away from oxides, light, heat, high temperatures, open flames.
Storage method
Store in a sealed container in a cool, dry place at room temperature away from light. Store away from oxidizing agents.
Synthesis method
None yet
Purpose
None yet
