Ethyl para-aminobenzoate

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.