p-Methoxybenzoic acid p-Anisc Acid
Structural formula
| Business number | 02H4 |
|---|---|
| Molecular formula | C8H8O3 |
| Molecular weight | 152.15 |
| label |
p-anisic acid, p-methoxybenzoic acid, 4-Methoxybenzoic acid, Anisic acid, P-anisic acid, 4-anisic acid, p-methoxybenzoic acid, 4-Methoxybenzoic acid, 4-Methoxy-benzoic acid, Anisic acid, para, Benzoicacid,4-methoxy-, Draconic acid, Draconic acid, Kyselina 4-methoxybenzoova, Kyselina4-methoxybenzoova, RARECHEM AL BO 0059, Aliphatic carboxylic acids and their derivatives |
Numbering system
CAS number:100-09-4
MDL number:MFCD00002542
EINECS number:202-818-5
RTECS number:BZ4395000
BRN number:508910
PubChem number:24847329
Physical property data
1. Properties: colorless needle-like crystals
2. Density (g/mL, 20℃): 1.385
3. Relative vapor density (g/mL, air =1): Undetermined
4. Melting point (ºC): 184
5. Boiling point (ºC, normal pressure): 277.5
6. Boiling point ( ºC, 1.87KPa): Undetermined
7. Refractive index: 1.571-1.576
8. Flash point (ºC): 185
9. Gas phase standard Heat of combustion (enthalpy) (kJ·mol-1): -3839.5
10. The gas phase standard claims heat (enthalpy) (kJ·mol-1): -451.9
11. Liquid phase standard combustion heat (enthalpy) (kJ·mol-1): -2069.0
12. Liquid phase Standard claimed heat (enthalpy) (kJ·mol-1): -648.4
13. Heat of combustion (KJ/mol): Undetermined
14 . Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19 . Solubility: Soluble in ethanol, ether, chloroform, slightly soluble in hot water, hardly soluble in cold water.
Toxicological data
Acute toxicity: mouse subcutaneous LD50: 400mg/kg��
Ecological data
Generally speaking it is not harmful to water.
Molecular structure data
1. Molar refractive index: 39.86
2. Molar volume (cm3/mol): 125.9
3. Isotonic specific volume (90.2K ): 326.0
4. Surface tension (dyne/cm): 44.9
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 15.80
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 2
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 46.5
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 136
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 Number: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Avoid contact with strong oxidants.
2.For the toxicity and protection of this product, please refer to benzoic acid
(C145).
Storage method
Store in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials. Packaging, storage and transportation are carried in 1kg plastic bags and 5kg plastic drums lined with plastic bags. Packed in 10kg carton, lined with plastic bag.
Synthesis method
It is obtained by reacting p-hydroxybenzoic acid with dimethyl sulfate.
Purpose
Used in the spice and pharmaceutical industries, and also used as preservatives