Ethyl p-methoxybenzoate
Structural formula
| Business number | 027H |
|---|---|
| Molecular formula | C10H12O3 |
| Molecular weight | 180.20 |
| label |
4-Methoxyethylbenzoate, Ethyl anisate, Natural ethyl anisate, 4-Methoxy-benzoicacythylester, p-Methoxybenzoic acid ethyl ester, CH3OC6H4CO2C2H5 |
Numbering system
CAS number:94-30-4
MDL number:MFCD00015151
EINECS number:202-320-8
RTECS number:BZ4697000
BRN number:2209700
PubChem number:24901059
Physical property data
Melting point (ºC): 7
Boiling point (ºC): 266
Relative density (20℃, 4℃): 1.1075
Relative density ( 25℃, 4℃): 1.016133
Refractive index at normal temperature (n20): 1.5254
Refractive index at normal temperature (n25): 1.5238
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 49.33
2. Molar volume (cm3/mol): 167.8
3. Isotonic specific volume (90.2K ): 408.5
4. Surface tension (dyne/cm): 35.1
5. Polarizability (10-24cm3): 19.55
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 35.5
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 160
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet