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