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) |
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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 |
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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 |
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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)