Tiglic acid (E)-2-甲基-2-丁烯酸

CAS 80-59-1 MFCD00066864

化学结构图

80-59-1
SMILES: C/C=C(\C)C(=O)O

化学属性

Mol. FormulaC5H8O2
Mol. Weight100.12
Boiling Point95-96 °C at 12 mmHg
Density0.969
Melting Point61-64 °C
Flash Point101°(213°F)
TSCAYes
SolubilitySOLUBLE IN HOT WATER
Stability易吸潮

别名和识别编码

Chemical NameTiglic acid
Synonym Tiglic acid {LY} Tiglic acid {} {LY} Tiglic acid {} {} {LY} Tiglic acid {} {} {} { {} {} {} {LY} Tiglic acid {} {} {} {} {LY} Tiglic acid {} {} {} {} {} {LY} Tiglic acid {} {} {} {} {} {} {LY} Tiglic acid {} {} {} {} {} {} {} {LY} Tiglic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tiglic acid {} {} {} {} {} {} {} {} {} {LY} Tiglic acid {} {} {} {} {} {} {} {} {} {} {LY} Tiglic acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Tiglic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tiglic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tiglic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tiglic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tiglic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00066864
CAS Number80-59-1
PubChem Substance ID87576228
EC Number201-295-0
Beilstein Registry Number1236500
Merck Number9433
Chemical Name Translation(E)-2-甲基-2-丁烯酸
Reaxys-RN1236500
LabNetwork Molecule IDLN00376741
Canonical SMILESC/C=C(C)/C(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

  • {SNA} Building Blocks, C1 to C5, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I - N, Kosher Certified Products, L-M, M-N, O-Z
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I-N, Kosher Certified Products, M-N

产品应用

  • 用于医药中间体。

相关文献及参考

  • Alcohols protected as tiglate esters can be cleaved by osmium tetroxide - periodate to the more readily hydrolyzed pyruvate esters: J. Org. Chem., 27, 3103 (1962).
  • Has been dimetallated with the hindered base Li tetramethylpiperidide. The resulting dilithio species reacts with benzynes (from bromobenzenes and the same base), providing a route to (E)-4-aryl-2-methyl-3-butenoic acids: Synth. Commun., 26, 963 (1996):
  • Merck: 14,9433
  • Merck: 14,9433 Beilstein:2,430
  • [1]. ROBERT E. BUCKLES, et al. THE PREPARATION OF TIGLIC AND ANGELIC ACIDS AND ESTERS. Cite This:J. Org. Chem.1950153680-684.

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSGQ5430000
Precautionary statements
  • P303+P361+P353+P310+P363
  • P390 Absorb spillage to prevent material damage. 吸收溢出物,防止重大损害。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P301+P310
  • P305+P351+P338
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P302+P352
  • P301+P330+P331
  • P405 Store locked up. 上锁保管。
  • P304+P340
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
Signal word
Safety Statements
Packing GroupII
UN Number UN 3261 8/PG 2
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Hazard Codes C C,Xi
Hazard Class8
Storage condition 2-8°C {LY} 2-8°C Refrigerator (+4°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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
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:
   20,837,1982

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:
   20,837,1982

其他信息

  • 下游产品:顺芷酸烯丙酯 --> (E)-2-甲基-2-丁烯酸苯甲酯 --> 惕各酸乙酯
  • 外观性质:具有奶香甜味香气 。具有吸湿性,难溶于水,微溶于醇。溶于热水、热醇、热乙醚及一般有机溶剂。密度:0.969熔点:64 °C沸点:198.4°C
  • 海关编码:29161980
  • TCI Shanghai:(E)-2-甲基-2-丁烯酸 Tiglic Acid,>;98.0%(GC)(T)(80-59-1)
  • Acros Organics:反式-2,3-二甲基丙烯酸 trans-2,3-Dimethylacrylic acid, 98%(80-59-1)
  • 用途一:用于医药中间体。
  • Sigma Aldrich:80-59-1(sigmaaldrich)
  • FEMA:3599
  • MSDS 信息:Tiglic acid(80-59-1).msds
  • 具有奶香甜味香气 。具有吸湿性,难溶于水,微溶于醇。溶于热水、热醇、热乙醚及一般有机溶剂。
  • MOL 文件:80-59-1.mol
  • 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) 惕各酸 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
  • 图谱信息:惕格酸(80-59-1)核磁图( 1 HNMR) 惕格酸(80-59-1)核磁图( 13 CNMR) 惕格酸(80-59-1)质谱(MS)
  • 惕格酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 K8945001 惕格酸 25g 488元 2011/04/16 T0246 惕各酸 Tiglic Acid 25G 335元 2011/04/16 T0246 惕各酸 Tiglic Acid 500G 2890元
  • Alfa Aesar:顺芷酸;alfa-甲基巴豆酸,98+% Tiglic acid, 98+%(80-59-1)

系列性分类


相关产品推荐