Ethyl levulinate 乙酰丙酸乙酯

CAS 539-88-8 MFCD00009209

化学结构图

539-88-8
SMILES: CCOC(=O)CCC(C)=O

化学属性

Mol. FormulaC7H12O3
Mol. Weight144.17
Density1.016
Boiling Point205.5°C at 760 mmHg
Refractive index1.4200 to 1.4240
Flash Point77.9°C
TSCAYes
Appearance 无色至淡黄色液体，略呈苹果似香气。沸点206℃或93～94℃(2400Pa)。闪点94℃。溶于水、乙醇和大多数有机溶剂。
pH:A

别名和识别编码

Chemical NameEthyl Levulinate
Synonym 3-ACETYLPROPIONIC ACID ETHYL ESTER 4-KETOVALERIC ACID ETHYL ESTER 4-Oxopentanoic acid ethyl ester 4-oxo-pentanoic acid ethyl ester 4-oxopentanoic acid ethyl ester 4-氧代戊酸乙酯 ETHYL ACETYL PROPANOATE Ethyl 3-acetylpropionate ethyl 4-ketovalerate ethyl 4-oxopentanoate ethyl acetylpropanoate ethyl levulinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number507641
PubChem Substance ID10883
CAS Number539-88-8
EC Number208-728-2
MDL NumberMFCD00009209
Reaxys-RN507641
Merck Number3819
Chemical Name Translation乙酰丙酸乙酯
LabNetwork Molecule IDLN00225545
InChIInChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
Canonical SMILESCC(CCC(OCC)=O)=O
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分类

  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {SA} Alphabetical Listings, Certified Food Grade Products, E-F, Flavors and Fragrances, Halal Certified Products
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E - H, E-F, E-G, Flavors and Fragrances, Halal Certified Products
  • {uni_hamburg} no charge; ester; ketone; 1fragment
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E-F, Flavors and Fragrances, Halal Certified Products
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E-F,
  • Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Merck:14,3819 Beilstein:3,675
  • Short: IV/18B
  • Short: IV/20B
  • Short: III/38B
  • Merck:14,3819

安全信息

WGK Germany2
RTECSOI1700000
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Signal word Warning
GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,679,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,679,1982

Hazard statements
Storage condition 2-8°C Store at room temperature

其他信息

  • 毒性:可安全用于食品(FDA，§172．515，2000)。
  • FEMA:2442
  • Hazard Note:Irritant
  • TCI Shanghai:乙酰丙酸乙酯 Ethyl Levulinate,>;98.0%(GC)(539-88-8)
  • 检测方法:GC,NMR
  • 上游原料:乙酰丙酸
  • Acros Organics:乙酰丙酸乙酯 Ethyl levulinate, 98%(539-88-8)
  • 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） 乙酰丙酸乙酯 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
  • 乙酰丙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 L0120 乙酰丙酸乙酯 Ethyl Levulinate 25ML 150元 2014/06/02 L0120 乙酰丙酸乙酯 Ethyl Levulinate 500ML 1300元 2010/06/21 153625000 乙酰丙酸乙酯 Ethyl levulinate 98% 500 GR 1398元
  • 海关编码:29183000
  • MOL 文件:539-88-8.mol
  • Alfa Aesar:乙酰丙酸乙酯,98% Ethyl levulinate, 98%(539-88-8)
  • 方法一:由乙酰丙酸与乙醇在苯或甲苯中在硫酸存在下直接酯化而成。
  • 参考质量标准:FCC，1996；FAO/WHO，1999 含量 98.0% 酸值 ≤2.0 折射率(n D 20 ) 1.420～1.425 相对密度(d 25 25 ) 1.009～1.014
  • 使用限量:FEMA(mg/kg)：软饮料5.8；冷饮11；糖果、焙烤食品，12。
  • 含量分析:按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • 下游产品:3-氨基-4-哒嗪羧酸 --> 5-(氨甲基)-1,5-二甲基吡咯-2-酮 --> 5-(氨甲基)-5-甲基吡咯-2-酮
  • MSDS 信息:4-Oxopentanoic acid ethyl ester(539-88-8).msds
  • 图谱信息:乙酰丙酸乙酯(539-88-8)红外图谱(IR1) 乙酰丙酸乙酯(539-88-8)核磁图( 1 HNMR) 乙酰丙酸乙酯(539-88-8)质谱(MS) 乙酰丙酸乙酯(539-88-8)核磁图( 13 CNMR) 乙酰丙酸乙酯(539-88-8)Raman光谱
  • 水中溶解度:40 g/L(20°C)。和醇混溶。
  • Sigma Aldrich:539-88-8(sigmaaldrich)
  • 用途一:GB 2760-96规定为允许使用的食品用香料。

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Certified Food Grade Products - Flavors and Fragrances
  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. C6 to C7 - 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. C2 to C5

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