Benzocaine

Benzocaine was first synthesised by a German chemical firm named Ritsert, in the town of Eberbach.

Benzocaine is the ethyl ester of p-aminobenzoic acid (PABA). It can be prepared from PABA and ethanol by Fischer esterification or via the reduction of ethyl p-nitrobenzoate. Benzocaine is sparingly soluble in water; it is more soluble in dilute acids and very soluble in ethanol, chloroform and ethyl ether. With the CAS NO.94-09-7,  it is a local anesthetic commonly used as a topical pain reliever or in cough drops.

Physical properties about Benzocaine are: (1)ACD/LogP: 1.945; (2)ACD/LogD (pH 5.5): 1.95; (3)ACD/LogD (pH 7.4): 1.95; (4)ACD/BCF (pH 5.5): 17.70; (5)ACD/BCF (pH 7.4): 17.72; (6)ACD/KOC (pH 5.5): 272.13; (7)ACD/KOC (pH 7.4): 272.41; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.554; (12)Molar Refractivity: 46.895 cm³; (13)Molar Volume: 146.113 cm³; (14)Polarizability: 18.591 10-24cm³; (15)Surface Tension: 44.6710014343262 dyne/cm; (16)Density: 1.131 g/cm³; (17)Flash Point: 164.199 °C; (18)Enthalpy of Vaporization: 55.159 kJ/mol; (19)Boiling Point: 310.731 °C at 760 mmHg; (20)Vapour Pressure: 0.00100000004749745 mmHg at 25°C

Preparation of Benzocaine: Preparation Products :4-Fluorobenzoic acid-->Benzonatate-->Ethyl 4-(butylamino)benzoate
Raw materials: 4-Aminobenzoic acid-->4-Aminophthalic acid-->Ethyl p-nitrobenzoate
Benzocaine is the ethyl ester of p-aminobenzoic acid (PABA), it can be prepared from PABA and ethanol by Fischer esterification or via the reduction of ethyl p-nitrobenzoate.

Uses of Benzocaine:
1. Benzocaine is a local anesthetic commonly used as a topical pain reliever. It is the active ingredient in many over-the-counter anesthetic ointments (e.g. products for oral ulcers of Anbesol by Wyeth, Kank+a by Blistex, Orabase B and Orajel by Del Pharmaceuticals, and Ultracare by Ultradent). It is also combined with antipyrine to form A/B Otic Drops, (Brand name Auralgan) to relieve earpain and remove cerumen.
2. Benzocaine is used as a key ingredient in numerous pharmecuticals:Phenazone, an anti-inflammatory;Some glycerol-based ear medications for use in removing excess wax as well as relieving ear conditions such as Otitis Media and swimmers ear; Some previous diet products such as Ayds; Some condoms designed to prevent premature ejaculation. Benzocaine acts to desensitize the penis, and theoretically allows an erection to be maintained

When you are using this chemical, please be cautious about it as the following:
1. Do not breathe dust;
2. Avoid contact with skin and eyes;
3. Wear suitable gloves and eye/face protection;
4. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
5. Avoid contact with skin;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3;
(2)InChIKey=BLFLLBZGZJTVJG-UHFFFAOYSA-N;
(3)Smilesc1cc(C(OCC)=O)ccc1N

The toxicity data is as follows: