ethyl vanillate

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:617-05-0

mdl number:mfcd00017269

einecs number:210-503-9

rtecs number:none

brn number:2100025

pubchem id:none

physical property data

1. physical property data

1. melting point (ºc): 43-45ºc

2. boiling point (ºc,normal pressure):108-110°c2 mm hg(lit.)

3. flashpoint (ºc):293ºc

toxicological data

none yet

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.

molecular structure data

5. molecular property data:

1, molar refractive index:51.21

2、 molar volume (m³/mol）： 166.2

3, isotonic specific volume (90.2k ): 423.5

4, surface tension (dyne/ cm): 42.1

5、 polarizability (10^-24cm³): 20.30

compute chemical data

4. calculated chemical data:

1. hydrophobic parameter calculation reference value (xlogp):2.1

2. number of hydrogen bond donors:1

3. number of hydrogen bond acceptors:4

4. number of rotatable chemical bonds:4

5. topological molecule polar surface area (tpsa ): 55.8

6. number of heavy atoms:14

7. surface charge: 0

8. complexity:193

9. isotope atoms quantity: 0

10. determine atoms number of stereocenters:0

11. not sure number of atomic stereocenters:0

12. determine chemical bonds number of stereocenters:0

13. not sure number of stereocenters of chemical bonds:0

14. covalent number of key units:1

properties and stability

properties and stability:

no decomposition products may occur under normal temperatures and pressures.

storage method

storage:

seal the secret container and store it in a sealed main container in a cool place dry position.

synthesis method

none yet

purpose

none yet

resource:allhdi.com