dl-diethyl malate

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: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

resource:allhdi.com