Ethyl 2-(methylthio)acetate (甲硫基)乙酸乙酯

CAS 4455-13-4 MFCD00009182

化学结构图

4455-13-4
SMILES: CCOC(=O)CSC

化学属性

Mol. FormulaCH3SCH2CO2CH2CH3
Mol. Weight134
Refractive index1.4580 to 1.4610
Boiling Point176°C(lit.)
Density1.043
Flash Point59°C(lit.)
TSCANo
Appearance 无色液体。呈水果香气。沸点70～72℃(3333Pa)。极微溶于水，溶于醇类和油类。

别名和识别编码

Chemical NameEthyl 2-(methylthio)acetate
Synonym Methylsulfanyl-acetic acid ethyl ester (甲硫基)乙酸乙酯 Ethyl α-(methylthio)acetate 2-甲硫基乙酸乙酯 (甲基硫代)醋酸乙酯 Aceticacid,(methylthio)-,ethylester ETHYL 2-(METHYLTHIO)ACETATE FEMA 3835 (甲硫基)乙酸乙酯 5-PHENYL-O-ANISIDINE, 98+% METHYLTHIOACETIC ACID ETHYL ESTER (甲硫基)乙酸乙酯 Ethyl α-(methylthio)acetate Ethyl α-(methylthio)acetate Ethyl(methylthio)acetate,98% Methylsulfanyl-aceticacidethylester Ethyl(methylthio)acetate ethyl (methylthio)acetate (Methylmercapto)-essigsαure-ethylester 2-(Methylthio)acetic acid ethyl ester Ethyl-(methylthio)acetat (Methylmercapto)-essigsäure-ethylester (me Acetic acid, (methylthio)-, ethyl ester
CAS Number4455-13-4
PubChem Substance ID87572885
EC Number224-700-2
MDL NumberMFCD00009182
Beilstein Registry Number1744999
Reaxys-RN1744999
Chemical Name Translation(甲硫基)乙酸乙酯
LabNetwork Molecule IDLN00163609
InChIInChI=1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3
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分类

  • {SNA} Alphabetical Listings, E-F, Flavors and Fragrances
  • Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {uni_hamburg} no charge; ester; sulfide; 1fragment
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E-F,

相关文献及参考

  • Under photochemical conditions, alkenes are converted to the homologated saturated ethyl esters: Tetrahedron Lett., 38, 7829 (1997).
  • The products are used in the synthesis of oxindoles; see, e.g.: J. Heterocycl. Chem., 28, 1525 (1991).
  • In the presence of chlorine or t-butyl hypochlorite, substituted anilines give ortho-substituted derivatives via a base-promoted Sommelet-Hauser type rearrangement of an intermediate azasulfonium salt: J. Am. Chem. Soc., 96, 5512 (1974):
  • Short: EINECS
  • Short: III/35C1

安全信息

GHS Symbol
WGK Germany3
Hazard Codes
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number 3272
Storage condition Moisture Sensitive
Packing GroupIII
Hazard Class3

其他信息

  • (甲硫基)乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0897 (甲硫基)乙酸乙酯 Ethyl (Methylthio)acetate 5G 90元 2014/06/02 M0897 (甲硫基)乙酸乙酯 Ethyl (Methylthio)acetate 25G 290元 2010/06/21 198121000 (甲硫基)乙酸乙酯 Ethyl (methylthio)acetate 95% 100 GR 2462元
  • Acros Organics:Ethyl (methylthio)acetate, 95%(4455-13-4)
  • 使用限量:FEMA(mg/kg)：焙烤制品、肉制品、汤品，0.1～0.5；饮料(无醇、含醇)、糖果、糖霜、冷饮、凝胶与布丁、调味汁，0.1～0.2；调味香料20。
  • TCI Shanghai:甲硫基乙酸乙酯 Ethyl (Methylthio)acetate,>;98.0%(GC)(4455-13-4)
  • 参考质量标准:FAO/WHO，1999 含量(GT-10-4) ≥98.0% 相对密度(d 25 25 ) 1.038～1.043
  • FEMA:3835
  • Sigma Aldrich:4455-13-4(sigmaaldrich)
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量（g/kg） 2-（甲硫基）乙酸乙酯 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 用途一:食品用香料。
  • 图谱信息:(甲硫基)乙酸乙酯(4455-13-4)核磁图( 13 CNMR) (甲硫基)乙酸乙酯(4455-13-4)红外图谱(IR1) (甲硫基)乙酸乙酯(4455-13-4)质谱(MS) (甲硫基)乙酸乙酯(4455-13-4)核磁图( 1 HNMR)
  • Alfa Aesar:甲硫基乙酸乙酯,98% Ethyl (methylthio)acetate, 98%(4455-13-4)
  • 敏感性:Moisture Sensitive
  • MOL 文件:4455-13-4.mol
  • 毒性:GRAS(FEMA)。

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. E-F - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C2 to C5 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters
  6. C12 to C63

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