| Identification | More | [Name]
ETHYL (METHYLTHIO)ACETATE | [CAS]
4455-13-4 | [Synonyms]
ETHYL 2-(METHYLTHIO)ACETATE
ETHYL ALPHA-(METHYLTHIO)ACETATE
ETHYL (METHYLTHIO)ACETATE
FEMA 3835
METHYLTHIOACETIC ACID ETHYL ESTER
(Methylmercapto)-essigsαure-ethylester
(methylthio)-aceticaciethylester
Acetic acid, (methylthio)-, ethyl ester
Aceticacid,(methylthio)-,ethylester
Ethyl (methylsulfanyl)acetate
Methylsulfanyl-acetic acid ethyl ester
Methylsulfanyl-aceticacidethylester
5-PHENYL-O-ANISIDINE, 98+%
Ethyl(methylthio)acetate,98%
(Methylthio)acetic acid ethyl ester, Ethyl α-(methylthio)acetate
2-(Methylthio)acetic acid ethyl ester | [EINECS(EC#)]
224-700-2 | [Molecular Formula]
C5H10O2S | [MDL Number]
MFCD00009182 | [Molecular Weight]
134.2 | [MOL File]
4455-13-4.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to slightly yellow liquid | [Boiling point ]
70-72 °C/25 mmHg (lit.) | [density ]
1.043 g/mL at 25 °C(lit.)
| [FEMA ]
3835 | [refractive index ]
n20/D 1.459(lit.)
| [Fp ]
139 °F
| [storage temp. ]
2-8°C | [form ]
clear liquid | [color ]
colorless | [Odor]
at 0.10 % in dipropylene glycol. sulfurous green fruity tropical | [biological source]
synthetic | [Odor Type]
fruity | [Water Solubility ]
Miscible with alcohol. Immiscible with water. | [Sensitive ]
Moisture Sensitive | [JECFA Number]
475 | [BRN ]
1744999 | [InChI]
1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3 | [InChIKey]
MDIAKIHKBBNYHF-UHFFFAOYSA-N | [SMILES]
CCOC(=O)CSC | [LogP]
1.35 | [CAS DataBase Reference]
4455-13-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS07 | [Signal word ]
Warning | [Hazard statements ]
H226-H315-H319-H335 | [Precautionary statements ]
P210-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 3272 3/PG 3
| [WGK Germany ]
3
| [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29309090 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to slightly yellow liquid | [Chemical Properties]
Ethyl-2-(methylthio)acetate has a fruity odor. | [Occurrence]
Reported found in melon, apple, pineapple, durian, yellow passion fruit and kiwifruit. | [Uses]
Ethyl (methylthio)acetate was used as internal standard during the analytical determination of volatile sulfur compounds in port wines. | [Uses]
Ethyl (methylthio)acetate is used as an internal standard during the analytical determination of volatile sulfur compounds in port wines. Further, it is used as food flavors. | [Definition]
ChEBI: Ethyl 2-(methylthio)acetate is a carboxylic ester. | [Aroma threshold values]
Detection: 250 ppb. Aroma characteristics at 1.0%: sweet, ethereal, rummy with a fruity sulfureous note,
slightly vegetative cauliflower with a garlic nuance. | [Taste threshold values]
Taste characteristics at 1 to 2 ppm: sweet, fruity melon with an uplifting rummy undertone. | [General Description]
Natural occurrence: Apple and melon. | [Biochem/physiol Actions]
Taste at 1-2 ppm | [Synthesis]
Toluene (30 mL), ethanol (2.39 g, 169.59 mmol), and 2-(methylthio)acetic acid (15 g, 141.32 mmol) were sequentially added to a 100 mL round-bottomed flask at room temperature, followed by the addition of p-toluenesulfonic acid monohydrate (4.03 g, 21.20 mmol) as a catalyst. The reaction mixture was gently heated to reflux and the dehydration reaction was carried out for 3 to 5 hours. Upon completion of the reaction, the mixture was cooled to room temperature, followed by addition of triethylamine (2.86 g, 28.26 mmol) to neutralize the acidic catalyst and silica gel for adsorption. After brief stirring, the silica gel was removed by filtration. The filtrate was distilled under reduced pressure to remove the solvent and finally purified by distillation to give ethyl (methylthio)acetate (14.81 g, 78% yield). | [References]
[1] Patent: US2010/324314, 2010, A1. Location in patent: Page/Page column 15-16
[2] Combinatorial Chemistry and High Throughput Screening, 2011, vol. 14, # 2, p. 132 - 137 |
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J & K SCIENTIFIC LTD.
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Alfa Aesar
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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jiliang chemicals
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21-62165282 |
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http://www.jiliangchem.com |
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