methyl sorbate
structural formula
| business number | 079d |
|---|---|
| molecular formula | c7h10o2 |
| molecular weight | 126.15 |
| label |
methyl hexadienoate, methyl sorbate, ch3ch=chch=chco2ch3, aliphatic compounds |
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
