Methyl crotonate 2-丁烯酸甲酯

CAS 623-43-8 MFCD00009287

化学结构图

623-43-8
SMILES: CC=CC(=O)OC

化学属性

Mol. FormulaC5H8O2
Mol. Weight100
Refractive index1.4230 to 1.4270
Boiling Point120°C
Density0.944 g/mL at 25 °C(lit.)
Flash Point29°C(lit.)
TSCAYes
SolubilityIMMISCIBLE

别名和识别编码

Chemical NameMethyl crotonate
CAS Number623-43-8
PubChem Substance ID87565544
EC Number210-793-7
Beilstein Registry Number2(4)1500
MDL NumberMFCD00009287
Synonym Crotonic acid, methyl ester, (E)- Methyl crotonate Methylcrotonate,98% (E)-But-2-enoicacidmethylester Methyl trans-2-butenoate trans-but-2-enoicacidmethylester Methyl-2-Crotonate Methyl alpha-crotonate Crotonic acid methyl ester Methyl E-crotonate methyl (E)-2-butenoate (E)-Crotonic acid methyl ester CROTONIC ACID METHYL ESTER 丁烯酸甲酯 (E)-CH3CH=CHC(O)OCH3 METHYL BUT-2-ENOATE trans-2-Butenoic acid methyl ester 巴豆酸甲酯 (E)-2-Butenoic acid methyl ester Methyl trans-crotonate METHYL CROTONATE TRANS-2-BUTENOIC ACID METHYL ESTER TRANS-METHYL CROTONATE Methyl 2-butenoate, (E)- {C
Merck Number2597
Chemical Name Translation2-丁烯酸甲酯
Reaxys-RN1720292
Wiswesser Line Notation2U1VO1
LabNetwork Molecule IDLN00237113
InChIInChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {SNA} Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

产品应用

  • 用作有机合成中间体和香料。

相关文献及参考

  • Short: EINECS
  • Short: IV/6
  • Beilstein:2(4)1500
  • Short: IV/16

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • 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, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes F,Xi
RTECSGQ5710000
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 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../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
  • P303+P361+P353
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • 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 Danger 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;
  • 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;
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S33 Take precautionary measures against static discharges 对静电采取预防措施;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S37 Wear suitable gloves 戴适当手套;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
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
  • R11 Highly flammable 非常易燃
Packing GroupIII
UN Number 3272 UN 3272 3/PG 2 UN3272
Hazard Class3
Storage condition Flammables area
Warnings 危化品目录(2015)
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 10 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,865,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,865,1979

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >19000 ppm/6H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,865,1979

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 :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,865,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           :

Restrict 危险品

其他信息

  • 海关编码:29161980
  • 检测方法:GC
  • 急性毒性:口服- 小鼠 LD50: 1600 毫克/ 公斤
  • 图谱信息:巴豆酸甲酯(623-43-8)核磁图( 1 HNMR) 巴豆酸甲酯(623-43-8)红外图谱(IR2) 巴豆酸甲酯(623-43-8)红外图谱(IR1) 巴豆酸甲酯(623-43-8)核磁图( 13 CNMR) 巴豆酸甲酯(623-43-8)Raman光谱 巴豆酸甲酯(623-43-8)质谱(MS)
  • 灭火剂:干粉、干砂、二氧化碳、泡沫
  • 下游产品:头孢克洛(一水物) --> 尼卡地平 --> 盐酸巴尼地平
  • MSDS 信息:丁烯酸甲酯(623-43-8).msds
  • 毒性分级:中毒
  • 类别:易燃液体
  • 溶于醇和醚,不溶于水。
  • 巴豆酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0419 巴豆酸甲酯 Methyl Crotonate 25ML 150元 2014/06/02 C0419 巴豆酸甲酯 Methyl Crotonate 500ML 1020元 2010/06/21 160845000 巴豆酸甲酯 trans-Methyl crotonate 98% 500 GR 1754元
  • Sigma Aldrich:623-43-8(sigmaaldrich)
  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时 中度
  • 外观性质:无色液体。
  • 方法一:由巴豆酸与甲醇经酯化而得。将800g巴豆酸、1L甲醇、130g硫酸、300ml四氯化碳配成的反应液在水浴上加热,脱水酯化后回收四氯化碳,得到粗品巴豆酸甲酯。然后用水洗去粗品中未反应的巴豆酸,再用5%碳酸钠洗涤,用减压蒸馏精制而得成品。
  • 上游原料:四氯化碳
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; 燃烧产生刺激烟雾
  • 用途一:用作有机合成中间体和香料。
  • Alfa Aesar:巴豆酸甲酯,98% Methyl crotonate, 98%(623-43-8)
  • TCI Shanghai:巴豆酸甲酯 Methyl Crotonate,>;98.0%(GC)(623-43-8)
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类分开存放
  • Acros Organics:巴豆酸甲酯 trans-Methyl crotonate, 98%(623-43-8)
  • MOL 文件:623-43-8.mol

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