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
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.