Methyl sorbate

Methyl sorbate structural formula

Methyl sorbate structural formula

Structural formula

Business number 079D
Molecular formula C7H10O2
Molecular weight 126.15

Methyl hexadienoate,

Methyl sorbate,


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


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 volumem3/ mol134.7

3. Isotonic specific volume90.2K309.8

4. Surface Tensiondyne/cm27.9

5. Dielectric constant:

6. Dipole moment10 -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




BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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