Ethyl vanillate
Structural formula
| Business number | 06HU |
|---|---|
| Molecular formula | C10H12O4 |
| Molecular weight | 196.20 |
| label |
4-Hydroxy-3-methoxybenzoic acid ethyl ester, Ethyl vanillate, Ethyl-4-hydroxy-3-methoxybenzoate, Ethyl vanillinate |
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