Methyl acetoacetate 乙酰乙酸甲酯

CAS 105-45-3 MFCD00008784

化学结构图

105-45-3
SMILES: COC(=O)CC(C)=O

化学属性

Mol. FormulaC5H8O3
Mol. Weight116.12
Density1.076
Refractive index1.4160 to 1.4200
Boiling Point169-170°C at 70 mmHg
Melting Point-80°C
Flash Point70°C
TSCAYes
SolubilitySoluble in water
Autoignition Point536 °F
Stability对湿度敏感
pH:A

别名和识别编码

Chemical NameMethyl acetoacetate
Synonym Methyl acetylacetate {LY} Methyl acetylacetate {} {LY} Methyl acetylacetate {} {} {LY} Methyl acetylacetate {} {} {} {LY} Methyl acetylacetate {} {} {} {} { {} {} {} {} {LY} Methyl acetylacetate {} {} {} {} {} {LY} Methyl acetylacetate {} {} {} {} {} {} {LY} Methyl acetylacetate {} {} {} {} {} {} {} {LY} Methyl acetylacetate {} {} {} {} {} {} {} {} {LY} Methyl acetylacetate {} {} {} {} {} {} {} {} {} {LY} Methyl acetylacetate {} {} {} {} {} {} {} {} {} {} {LY} Methyl acetylacetate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl acetylacetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl acetylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl acetylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl acetylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl acetylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl acetylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number105-45-3
EC Number203-299-8
Beilstein Registry Number206727
MDL NumberMFCD00008784
PubChem Substance ID87562214
Reaxys-RN506727
Merck Number6009
Chemical Name Translation乙酰乙酸甲酯
Wiswesser Line Notation1V1VO1
LabNetwork Molecule IDLN00221383
InChIInChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
Canonical SMILESCC(CC(OC)=O)=O
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {SA} Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {SNA} Alpha Sort, Analytical Standards, Chemical Class, Chromatography, Environmental Standards, Esters, M, Volatiles/ Semivolatiles,
  • {SNA} Alpha Sort, Alphabet
  • Alpha Sort, Alphabetic, Analytical Standards, Analytical/Chromatography, Chemical Class, Chromatography, Environmental Standards, Esters, M, META - METH, Vol
  • {SNA} Alpha Sort,
  • {Chemicalbook} 农药中间体: 杀菌剂中间体: 其他类杀菌剂

产品应用

  • 用作纤维素醚的溶剂和纤维素树脂混合溶剂的成分,也用于农药、医药、染料、高分子稳定剂等有机合成中。

相关文献及参考

  • Merck:14,6009 Beilstein:3,632
  • Short: II/27B
  • Merck:14,6009
  • Short: III/38A

安全信息

GHS Symbol
WGK Germany1
Hazard Codes Xi
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSAK5775000
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • 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。
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P304+P340
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+P313
  • P332+P313
  • P337+P313
  • P370+P378
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • 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;
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3228 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 30,63,1948

其他信息

  • Sigma Aldrich:105-45-3(sigmaaldrich)
  • 上游原料:甲醇 --> 乙酰乙酸乙酯 --> 二乙烯酮 --> 甲烷
  • 常规方法:铝桶包装。注意桶盖密封良好。贮于阴凉通风处。防火。按易燃有毒化学品规定贮运。
  • 图谱信息:乙酰乙酸甲酯(105-45-3)核磁图( 1 HNMR) 乙酰乙酸甲酯(105-45-3)Raman光谱 乙酰乙酸甲酯(105-45-3)核磁图( 13 CNMR) 乙酰乙酸甲酯(105-45-3)红外图谱(IR1) 乙酰乙酸甲酯(105-45-3)质谱(MS)
  • 方法一:其制备方法与乙酰乙酸乙酯制备方法类似,用双乙烯酮与甲醇在硫酸催化作用下反应而得粗品,经精馏得成品。
  • 具有芳香味。能与乙醇、乙醚混溶,溶于2份水。遇三氯化铁混在一起时即呈深红色。(微分解),在沸点温度下稍有分解。 半数致死量(大鼠,经口)3.0g/kg。有刺激性
  • Acros Organics:乙酰乙酸甲酯 Methyl acetoacetate, 99+%(105-45-3)
  • 用途一:用于医药工业
  • 防护措施:毒性较小,大鼠经口LD50为3.0g/kg。大鼠试验在浓蒸气中接触8小时,未发现死亡。有中等程度的刺激性和麻醉性。应加强设备密闭和操作场所的通风。操作人员配戴防护装具。
  • 乙酰乙酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30115328 乙酰乙酸甲酯 500ml 93.4元 2011/04/16 A0650 乙酰乙酸甲酯 Methyl Acetoacetate 25G 178元 2011/04/16 A0650 乙酰乙酸甲酯 Methyl Acetoacetate 500G 272元
  • 外观性质:无色液体, 有特臭。
  • TCI Shanghai:乙酰乙酸甲酯 Methyl Acetoacetate,>;99.0%(GC)(105-45-3)
  • 用途二:乙酰乙酸甲酯是杀菌剂恶霉灵、二甲嘧酚、乙嘧酚,杀虫剂二嗪磷、蝇毒磷、嘧啶氧磷,除草剂咪唑乙烟酸,杀鼠剂杀鼠醚、杀鼠灵等的中间体。
  • 用途三:用作纤维素醚的溶剂和纤维素树脂混合溶剂的成分,也用于农药、医药、染料、高分子稳定剂等有机合成中。
  • MSDS 信息:乙酰乙酸甲酯(105-45-3).msds
  • 海关编码:29183000
  • 方法二:由双乙烯酮与甲醇反应制得。双乙烯酮与甲醇以浓硫酸为催化剂进行酯化,再经粗分馏、精馏得成品。双乙烯酮则由醋酸裂解而得。见“乙酰乙酸乙酯”。
  • Alfa Aesar:乙酰乙酸甲酯,99% Methyl acetoacetate, 99%(105-45-3)
  • 下游产品:4,6-二甲基嘧啶-5-甲酸 --> 2,4-二羟基-6-甲基嘧啶 --> 4-氯喹哪啶 --> 甲基嘧啶磷 --> 氟伐他汀钠 --> alpa-乙酰基-gama-丁酯 --> 稀禾定 --> 二嗪农 --> 3-氧代戊酸甲酯 --> 异植物醇 --> : 仑氨西林 仑氨西林 --> BATA-羟基丁酸钠 --> 硝苯地平 --> 4-羟基-2-甲基喹啉 --> 5-甲基-3-苯基异恶唑-4-羧酸 --> 2-氨基-3-氰基-4-甲基-5-甲氧甲酰基噻吩 --> 5-氨基-3-甲基噻吩-2,4-二甲酸二甲酯 --> 速灭磷 --> 非洛地平 --> 2,6-二甲基-4-(3-硝基苯基)-1,4-二氢-3,5-吡啶二甲酸甲乙酯 --> 2,2-二甲基环戊酮 --> D-(-)-对羟基苯甘氨酸邓钾盐 --> 丙戊酸钠
  • MOL 文件:105-45-3.mol

系列性分类