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