87-25-2
Product Name:
ETHYL ANTHRANILATE
Formula:
C9H11NO2
Synonyms:
Benzocaine impurity D (PhEur);Ethyl anthranilate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Ethyl anthranilate is a colorless liquid with a fruity odor. Insoluble in water. (NTP, 1992) |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Fruity odor |
| Taste | FAINT ORANGE-FLOWERS TASTE |
| Boiling Point | 514 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 55 °F (NTP, 1992) |
| Solubility | Insoluble (NTP, 1992) |
| Density | 1.117 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.00232 [mmHg] |
| LogP | log Kow = 2.57 |
| Decomposition | When heated to decomp, emits toxic fumes of /nitrogen oxides/. |
| Refractive Index | INDEX OF REFRACTION: 1.5646 @ 20 °C/D; MAX ABSORPTION (ALCOHOL): 225 NM( LOG E= 4.3); 250 NM (LOG E= 3.85); 338 NM (LOG E= 3.7) |
| Dissociation Constants | pKa = 2.18 (conjugate acid) |
| Kovats Retention Index | 1387 1389.8 1396 1396 |
| Other Experimental Properties | DECOMP ABOVE 442 °F |
| Chemical Classes | Nitrogen Compounds -> Aminobenzoic Acids |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H303:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 165.19 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 165.078978594 g/mol |
| Monoisotopic Mass | 165.078978594 g/mol |
| Topological Polar Surface Area | 52.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 159 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ethyl anthranilate is a colorless liquid with a fruity odor. Insoluble in water. (NTP, 1992)