Ethyl para-aminobenzoate
Structural formula
| Business number | 0277 |
|---|---|
| Molecular formula | C9H11NO2 |
| Molecular weight | 165.19 |
| label |
Benzocaine, 4-Aminobenzoic acid ethyl ester, ethylamine, 4-Aminobenzoic acid ethyl ester, UV absorber |
Numbering system
CAS number:94-09-7
MDL number:MFCD00007892
EINECS number:202-303-5
RTECS number:DG2450000
BRN number:638434
PubChem number:24894416
Physical property data
1. Properties: Colorless rhombic crystals
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/ mL, air=1): Undetermined
4. Melting point (ºC): 88-90
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC) : Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
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: Easily soluble in alcohol, ether, and chloroform. Soluble in almond oil, olive oil and dilute acid. Hardly soluble in water.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 46.89
2. Molar volume (cm3/mol): 146.1
3. Isotonic specific volume (90.2K ): 377.7
4. Surface tension (dyne/cm): 44.6
5. Polarizability (10-24cm3): 18.59
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 1.9
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 2
6. Topological molecular polar surface area (TPSA): 52.3
7, Number of heavy atoms: 12
8, Surface charge: 0
9, Complexity : 151
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13. Determined number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units ：1
Properties and stability
Stable in the air, odorless and bitter. Alkaline. The color gradually changes to yellow when exposed to light.
Storage method
Stored sealed and protected from light.
Synthesis method
1. Mainly adopt esterification method. First, p-nitroconcentrated formic acid is hydrogenated and reduced to generate p-aminobenzoic acid, and then it is esterified with ethanol in the presence of a sulfuric acid catalyst, and then neutralized, washed, crystallized, and dried.
Purpose
1. Ultraviolet absorber. Mainly used in sunscreen and tanning cosmetics, it is chemically stable to light and air, safe for the skin, and has the ability to form a film on the skin. Can effectively absorb U. V． B area 280-320μm medium wave light area) ultraviolet light. The added amount is usually about 4%.
2. This product is a local anesthetic, used to relieve itching and analgesia on wounds, ulcers, hemorrhoids, etc., with a concentration of 5% to 20%. Also used as intermediates in drug synthesis and organic synthesis.
