4,4-Dimethoxy-2-butanone 乙酰基乙醛缩二甲醇

CAS 5436-21-5 MFCD00008789

化学结构图

5436-21-5
SMILES: COC(CC(C)=O)OC

化学属性

Mol. FormulaC6H12O3
Mol. Weight132.16
Density0.996
Refractive index1.4140 to 1.4170
Boiling Point172.1°C at 760 mmHg
Flash Point57°C
TSCAYes
Melting Point-82°C
Solubility分解
pH:A

别名和识别编码

Chemical Name4,4-Dimethoxy-2-butanone
CAS Number5436-21-5
Alfabeta NameDIMETHOXYBUTANONE 442---,
MDL NumberMFCD00008789
Synonym 4,4-Dimethoxy-2-butanone {LY} 4,4-Dimethoxy-2-butanone {} {LY} 4,4-Dimethoxy-2-butanone {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {}
EC Number226-605-1
Beilstein Registry Number1702372
PubChem Substance ID228548
Chemical Name Translation乙酰基乙醛缩二甲醇
Reaxys-RN1702372
LabNetwork Molecule IDLN00176712
InChIInChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3
Canonical SMILESCC(CC(OC)OC)=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

  • {uni_hamburg} no charge; ketone; 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} Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Protected form of the keto aldehyde, useful in heterocyclic synthesis, e.g. (formamide to 4-methylpyrimidine): Org. Synth. Coll., 5, 794 (1973).
  • Short: II/27B
  • Beilstein: 1,IV,3640
  • Short: III/35C1

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany2
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Risk Statements
  • R10 Flammable 易燃
  • 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
  • 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。
  • P211 Do not spray on an open flame or other ignition source.? 不要喷洒在明火或其他点火源。
  • 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
  • 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。
  • P303+P361+P353
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSEL7592500
Packing GroupIII
UN Number 1224 1989
Hazard Codes 3
Hazard Class3
Storage condition 2-8°C {LY} 2-8°C Flammables area {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • 参考质量标准:FAO/WHO,1999 含量(GT-10-4) ≥96% 折射率(n D 20 ) 1.414~1.424 相对密度(n D 20 ) 0.993~0.998
  • MSDS 信息:KBA(5436-21-5).msds
  • 海关编码:29145000
  • 4,4-二甲氧基-2-丁酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1157 1,1-二甲氧基-3-丁酮 1,1-Dimethoxy-3-butanone 500ML 1500元 2014/06/02 D1157 1,1-二甲氧基-3-丁酮 1,1-Dimethoxy-3-butanone 25ML 209元 2010/06/21 292330010 4,4-二甲氧基-2-丁酮 Acetylacetaldehyde dimethyl acetal 92% 1 LT 3850元
  • 毒性:GRAS(FEMA)。
  • 用途一:主要用作医药、农药中间体
  • FEMA:3381
  • 下游产品:5-甲基-1H-吡咯-2-甲酸乙酯 --> 反-1-甲氧基-3-(三甲基硅氧基)-1,3-丁二烯 --> 3-甲基-2-糠酸 --> 3-甲基-2-呋喃甲酸甲酯 --> 4-甲氧基-3-丁烯-2-酮 --> 5-甲基-4-异恶唑磺酰氯 --> 4-甲基-2-甲硫基嘧啶 --> 3-甲基-1-苯基吡啶
  • Sigma Aldrich:5436-21-5(sigmaaldrich)
  • MOL 文件:5436-21-5.mol
  • 使用限量:FEMA(mg/kg):冷饮、糖果、凝胶制品和布丁、蜜饯,80;焙烤制品160;调味品500;肉制品、汤品、蔬菜制品,2000。
  • Acros Organics:乙酰乙醛二甲缩醛 Acetylacetaldehyde dimethyl acetal, 95%(5436-21-5)
  • Alfa Aesar:乙酰乙醛,90+% Acetylacetaldehyde dimethyl acetal, 90+%(5436-21-5)
  • 一种重要的精细化工产品:4,4-二甲氧基-2-丁酮是一种重要的精细化工产品,又叫乙酰乙醛缩二甲醇,室温下为无色或淡黄液体,可用于合成2-氯-3-氨基-4-甲基吡啶、3-羟基异戊醛缩二甲醇、2-巯基-4-甲基嘧啶等医药农药中间体。 实验室里以金属钠为原料,甲醇为溶剂,先制成甲醇钠的饱和甲醇溶液,再滴加丙酮和甲酸甲酯进行Claisen酯缩合制得丁酮烯醇钠,最后在强酸作用下与甲醇进行缩醛化反应合成了4,4-二甲氧基-2-丁酮,过程总收率达到73.19%,纯度98.7%。
  • 方法一:由丙酮经缩合、加成而得。
  • 检测方法:GC,NMR
  • 用途二:医药磺胺甲基嘧啶的中间体。
  • TCI Shanghai:4,4-二甲氧基-2-丁酮 1,1-Dimethoxy-3-butanone,>;90.0%(GC)(5436-21-5)

系列性分类


相关产品推荐