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CAS No.: | 886-86-2 |
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Name: | Tricaine methanesulfonate |
Molecular Structure: | |
Formula: | C9H11NO2.CH4O3S |
Molecular Weight: | 261.299 |
Synonyms: | m-Amino benzoic acid ethyl ester methanesulfonate;Ethyl 3-aminobenzoate methanesulfonate;(3-ethoxycarbonylphenyl)azanium; methanesulfonate;MS-222;Tricaine;Benzoic acid, 3-amino-, ethyl ester;Benzoic acid, m-amino-, ethyl ester, methanesulfonate (8CI);Methanesulfonic acid, compd. with ethyl m-aminobenzoate (1:1);MS 222;Metacaine;m-Aminobenzoic acid, ethyl ester;ethyl 3-aminobenzoate; methanesulfonic acid;Benzoic acid, m-amino-, ethyl ester, methanesulfonate;Finquel;TS-222;3-Aminobenzoic acid, ethyl ester, methanesulfonate; |
EINECS: | 212-956-8 |
Density: | 1.3799 (rough estimate) |
Melting Point: | 146-149 °C(lit.) |
Boiling Point: | 294.7 °C at 760 mmHg |
Flash Point: | 151.2 °C |
Solubility: | 50 mg/mL, clear, colorless in water |
Appearance: | white to off-white fine powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 115.07000 |
LogP: | 2.61150 |
Conditions | Yield |
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In aq. buffer pH=7.2 - 7.3; |
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Reported in EPA TSCA Inventory.
The Tricaine mesylate, with the CAS registry number 886-86-2 and EINECS registry number 212-956-8, has the systematic name of 3-(ethoxycarbonyl)anilinium methanesulfonate. It is also known as TMS, and the molecular formula of this chemical is C10H15NO5S. What's more, it should be stored at 2-8°C.
The Tricaine mesylate is a kind of white to off-white fine powder used for anesthesia, sedation, or euthanasia of fishes. And it is the only anesthetic licensed in the United States for fin fish that is intended for human consumption. It is a muscle relaxant that operates by preventing action potentialse. What's more, it is easily soluble in water (both fresh and salt), but it drastically decreases the pH of water, increasing the acidity, which may be toxic for fish.
The physical properties of Tricaine mesylate are as following: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.54; (5)ACD/BCF (pH 5.5): 8.7; (6)ACD/BCF (pH 7.4): 8.79; (7)ACD/KOC (pH 5.5): 163.28; (8)ACD/KOC (pH 7.4): 164.87; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Flash Point: 151.2 °C; (14)Enthalpy of Vaporization: 53.44 kJ/mol; (15)Boiling Point: 294.7 °C at 760 mmHg; (16)Vapour Pressure: 0.0016 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cc(ccc1)[NH3+].[O-]S(=O)(=O)C
(2)InChI: InChI=1/C9H11NO2.CH4O3S/c1-2-12-9(11)7-4-3-5-8(10)6-7;1-5(2,3)4/h3-6H,2,10H2,1H3;1H3,(H,2,3,4)
(3)InChIKey: FQZJYWMRQDKBQN-UHFFFAOYAO
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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frog | LDLo | intraperitoneal | 250mg/kg (250mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC | Pharmacologist. Vol. 16, Pg. 252, 1974. |
mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03233, |