methyl 4-methoxybenzoate methyl 4-methoxybenzoate
structural formula
| business number | 03ec |
|---|---|
| molecular formula | c9h10o3 |
| molecular weight | 166.17 |
| label |
methyl p-methoxybenzoate, methyl 4-methoxybenzoate, methyl anisate, p-anisic acid methyl ester, rarechem al bf 0083, 4-methoxy-benzoicacimethylester, benzoic acid, p-methoxy-, methyl ester, benzoicacid,4-methoxy-,methylester, methyl ester of p-methoxybenzoic acid, p-methoxybenzoic acid methyl ester, p-methoxy-benzoicacimethylest, fragrance |
numbering system
cas number:121-98-2
mdl number:mfcd00008437
einecs number:204-513-2
rtecs number:bz4925000
brn number:2208571
pubchem number:24890546
physical property data
1. melting point (℃): 47.5°c
2. boiling point (ºc): 244.5°c
toxicological data
1. acute toxicity: rat oral ld50: >5gm/kg
rabbit skin ld50: >5gm/kg
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 44.70
2. molar volume (cm3/mol): 151.3 /p>
3. isotonic specific volume (90.2k): 368.7
4. surface tension (dyne/cm): 35.2
5. dielectric constant:
6. dipole moment (10-24cm3):
7. polarizability: 17.72
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: 3
5. number of tautomers: none
6. topological molecule polar surface area 35.5
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 148
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
storage��method
none
synthesis method
none
purpose
1. use
used in pharmaceutical intermediates and organic synthesis.