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
• 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