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.
