methyl sorbate

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:689-89-4

mdl number:mfcd00038319

einecs number:211-712-8

rtecs number:none

brn number:none

pubchem number:24901855

physical property data

1. character: undetermined.

2. density (g/ml,25/4℃): 0.968

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc): 15

5. boiling point (ºc,normal pressure): 180

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: 1.503

8. flash point (ºc): 70

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): 41.63

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/log value of water) partition coefficient: 1.86

17. explosion limit (%,v/v): undetermined

18. lower explosion limit ( %,v/v): undetermined

19. solubility: undetermined .

toxicological data

none

ecological data

usually not harmful to water, do not discharge materials into the surrounding environment without government permission.

molecular structure data

1. molar refractive index: 36.36

2. molar volume（m³/ mol）：134.7

3. isotonic specific volume（90.2k）：309.8

4. surface tension（dyne/cm）：27.9

5. dielectric constant:

6. dipole moment（10 ^-24cm³)：

7. polarizability: 14.41

compute chemical data

1. hydrophobic parameters calculate reference value (xlogp): 1.6

2. hydrogen bonding number of donors: 0

3. hydrogen bonding number of receptors: 2

4. rotatable number of chemical bonds: 3

5. topological molecules polar surface area (tpsa): 26.3

6. heavy atoms quantity: 9

7. surface charge: 0

8. complexity ：134

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

stay away from strong acids, alkalis, and strong oxidants.

storage method

store in an airtight container and place store in a cool, dry place. the storage place must be away from oxidants and open flames.

synthesis method

none

purpose

none