Ethyl (methylthio)acetate
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Ethyl (methylthio)acetate
structure -
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CAS No:
4455-13-4
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Formula:
C5H10O2S
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Chemical Name:
Ethyl (methylthio)acetate
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Synonyms:
Acetic acid,2-(methylthio)-,ethyl ester;Acetic acid,(methylthio)-,ethyl ester;Ethyl (methylthio)acetate;Ethyl 2-methylthioacetate;NSC 165655;(Methylsulfanyl)acetic acid ethyl ester;(Methylthio)acetic acid ethyl ester;Ethyl 2-(methylsulfanyl)acetate;Ethyl methylmercapto-acetate
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CAS No:
Description
clear colorless to slightly yellow liquid Ethyl-2-(methylthio)acetate has a fruity odor.
colourless liquid with a fruity odour
Ethyl 2-(methylthio)acetate is a carboxylic ester.
Ethyl (methylthio)acetate Basic Attributes
134.2
134.20
1744999
224-700-2
6148QQN25T
165655
DTXSID40196219
2930909090
Characteristics
51.6
1.2
colorless
1.043 g/mL at 25 °C(lit.)
62 °C @ Press: 13 Torr
139 °F
n20/D 1.459(lit.)
Miscible with alcohol. Immiscible with water.
Safety Information
Ⅲ
3
UN 3272 3/PG 3
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H226-H315-H319-H335
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 133 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Ethyl (methylthio)acetate Use and Manufacturing
Toluene (30 ml), ethanol (2.39 g, 169.59 mmol) and methylthioacetic acid (15 g, 141.32 mmol) were added into a 100-ml flask in this order at room temperature and then p-toluenesulfonic acid monohydrate (4.03 g, 21.20 mmol) was charged thereto. The solution was gently heated and subjected to reflux dehydration for 3 to 5 hours. After reflux dehydration, the solution was cooled to around room temperature, added with triethylamine (2.86 g, 28. 26 mmol) at room temperature, stirred and then added with silica gel. After stirring for a while, the silica gel was filtered off. After the solvent of the filtrate was removed in vacuum distillation, ethyl methylthioacetate (14.81 g, 78percent) was isolated in distillation.General procedure: To a mixture of S-methyl α-chlorothioacetate, (1.5 g, 12 mmol) potassium carbonate (3.3 g, 24 mmol), tetrabutylammonium hydrogen sulfate (0.41 g, 1.2 mmol) and 10 mL of dichloromethane, cooled by dry ice/ethanol external bath, was added 1.0 mL of methanethiol (17 mmol). The reaction mixture was stirred for 30 min, warmed to 0 C and further stirred at this temperature for 3 h. The resulting mixture was filtered and the filtrate was diluted with dichloromethane (50 mL) and washed with water. The organic phase was dried over anhydrous magnesium sulfate and after the removal of solvent under reduced pressure, the resulting oil (1.2 g) was submitted to distillation at 93–94 C/9 mmHg (Lit.[15] b. p. 85–86C/15 mmHg), yielding 1.0 g (61percent) of colorless liquid.a) General procedure: S-methyl methylsulfinylthioacetate (1) (0.0087 g, 0.057 mmol) was placed into an ampoule that was evacuated and sealed. The sealed ampoule was maintained in an oven heated at 140 C for 45 min. After cooling, the ampoule was broken and the organic content was dissolved in CDCl
Spices for food.
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:134.20
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:134.04015073
Monoisotopic Mass:134.04015073
Topological Polar Surface Area:51.6
Heavy Atom Count:8
Complexity:72.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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