Ethyl anthranilate

Structural formula

Business number	01XR
Molecular formula	C9H11NO2
Molecular weight	165.19
label	2-Aminobenzoic acid ethyl ester, Ethyl 2-aminobenzoate, Ethyl anthranilate, H2NC6H4CO2C2H5

• 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:87-25-2

MDL number:MFCD00007711

EINECS number:201-735-1

RTECS number:DG2448000

BRN number:878874

PubChem number:24846749

Physical property data

1. Character:Colorless liquid

2. Density (g/mL,25/4℃): 1.1174（g/mL ,20/4℃)

3. Relative vapor density (g/mL,AIR=1): Unsure

4. Melting point (ºC): Unsure

5. Boiling point (ºC,Normal pressure):266-268℃

6. Boiling point (ºC,5.2kPa):145-147℃（6.0kPa)

7. Refractive index:1.5645

8. Flash Point (ºC): Unsure

9. Specific rotation (º): Unsure

10. Autoignition point or ignition temperature (9pt; FONT-FAMILY: ‘Arial’,’sans-serif’; mso-font-kerning: 0pt”>

Toxicological data

1, acute toxicity

Rat caliber LD50: 3750mg/kg;

2. Neurotoxicity
Rabbit skin test: 500 mg/24HREACTION

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 46.89

2. Molar volume (m³/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. Reference value for hydrophobic parameter calculation (XlogP): None

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: 4

6. Topological molecule polar surface area 52.3

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 159

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 yet

Storage method

This product should be sealed, dry and protected from light.

Synthesis method

None yet

Purpose

It is derived from the reaction of anthranilic acid and ethanol in the presence of straight acid.

�：377.7

4. Surface Tension (dyne/cm):44.6

5. Polarizability（10^-24cm³):18.59

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

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: 4

6. Topological molecule polar surface area 52.3

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 159

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 yet

Storage method

This product should be sealed, dry and protected from light.

Synthesis method

None yet

Purpose

It is derived from the reaction of anthranilic acid and ethanol in the presence of straight acid.