94-09-7
Product Name:
Benzocaine
Formula:
C9H11NO2
Synonyms:
4-Aminobenzoic acid ethyl ester;Benzocainum;Ethyl 4-aminobenzoate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Rhombohedra from ether |
| Boiling Point | 310 °C |
| Melting Point | 92 °C |
| Solubility | >24.8 [ug/mL] (The mean of the results at pH 7.4) |
| Vapor Pressure | 2.6X10-4 mm Hg at 25 °C /Estimated/ |
| LogP | 1.86 |
| Henry's Law Constant | Henry's Law constant = 1.6X10-8 atm-cu m/mole at 25 °C /Estimated/ |
| Stability/Shelf Life | Stable in air. |
| Dissociation Constants | 2.51 (at 25 °C) |
| Collision Cross Section | 148.2 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 1545 1516 1563 1523 1523 1513 1530 1578 1561 1526 1528 1560 1555 1513 1535 1555 1555 1563 1574 |
| Other Experimental Properties | Stable in air |
| Chemical Classes | Other Uses -> Pharmaceuticals |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 165.19 g/mol |
|---|---|
| XLogP3 | 1.9 |
| 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 | 151 |
| 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
Benzocaine is a benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina. It has a role as a topical anaesthetic, an antipruritic drug, an allergen and a sensitiser. It is a benzoate ester and a substituted aniline.