3-Butenoic acid 3-丁烯酸

CAS 625-38-7 MFCD00002782

化学结构图

625-38-7
SMILES: C=CCC(=O)O

化学属性

Mol. FormulaC4H6O2
Mol. Weight86.09
Density1.013 g/mL at 25 °C(lit.)
Refractive index1.4210 to 1.4250
Flash Point65°C(lit.)
TSCANo
Boiling Point163 °C at 760 mmHg
Melting Point-39 °C
Appearance 液体。熔点-39℃，沸点163℃，69-70℃（1.6kPa），相对密度1.013（15/15℃），折光率1.4257（15℃），闪点65℃。

别名和识别编码

Chemical Name3-Butenoic acid
Synonym 3-Butenoic acid {LY} 3-Butenoic acid {} {LY} 3-Butenoic acid {} {} {LY} 3-Butenoic acid {} {} {} {LY} 3-Butenoic acid {} {} {} {} {LY} 3-Butenoic acid {} {} {} {} {} {LY} 3-Butenoic acid {} {} {} {} {} {} {LY} 3-Butenoic acid {} {} {} {} {} {} {} {LY} 3-Butenoic acid {} {} {} {} {} {} {} {} {LY} 3-Butenoic acid {} {} {} {} {} {} {} {} {} {LY} 3-Butenoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Butenoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Butenoic acid {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Butenoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Butenoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Butenoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Butenoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
CAS Number625-38-7
EC Number210-892-5
Beilstein Registry Number2,407
MDL NumberMFCD00002782
PubChem Substance ID32743
Reaxys-RN1699159
Chemical Name Translation3-丁烯酸
InChIKeyPVEOYINWKBTPIZ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00194754
InChIInChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)
Canonical SMILESC=CCC(O)=O
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分类

  • {SNA} Building Blocks, C1 to C5, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carboxylic acid; 1fragment

相关文献及参考

  • ß-Unsaturated acids, including vinylacetic acid, undergo bromolactonization with bromine in the presence of bicarbonate giving a mixture of ß- and -lactones: J. Org. Chem., 55, 2487 (1990). Further treatment of the lactone mixture with AgNO3 in acetic acid provides a route to butenolides: Tetrahedron Lett., 34, 1411 (1993).
  • Short: IV/8I
  • Short: IV/16
  • Short: IV/20B
  • Short: III/38B

安全信息

Signal word Danger
GHS Symbol
WGK Germany2
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；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • 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；
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • 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。
  • P234 Keep only in original container. 只保留在原来的容器中。
  • 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。
  • 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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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+P312
  • P301+P330+P331
  • P301+P330+P331+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P406 Store in corrosive resistant/… container with a resistant inner liner. 存放在耐腐蚀/具有耐性的内衬容器。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Packing GroupII
UN Number UN3265 UN 2922 8/PG 2 2922 3265
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H302 Harmful if swallowed 吞食有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
  • H351 Suspected of causing cancer 怀疑致癌
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes C
Hazard Class8
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • TCI Shanghai:3-丁烯酸 3-Butenoic Acid,>;65.0%(GC)(625-38-7)
  • 用途一:用于有机合成。
  • 方法一:由丁烯-3-腈水解而得。将丁烯-3-腈和浓盐酸一起加热，反应后生成大量氯化铵沉淀，温度很快上升，回流反应15min后加水，分离出上部酸层，减压蒸馏，收集70-72℃（1.2kPa）馏分即得。
  • MOL 文件:625-38-7.mol
  • Acros Organics:乙烯基乙酸/3-丁烯酸 Vinylacetic acid, tech., 90%, unstabilized(625-38-7)
  • 乙烯基乙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0694 3-丁烯酸 3-Butenoic Acid 25G 719元 2014/06/02 B0694 3-丁烯酸 3-Butenoic Acid 250G 4070元 2010/06/21 158831000 乙烯基乙酸 Vinylacetic acid , tech., 90%, unstabilized 100 GR 2904元
  • 下游产品:3-甲基戊二酸 --> 亚胺培南(一水物) --> 2-羟基-1-萘甲醛 --> 乙烯菌核利
  • 图谱信息:乙烯基乙酸(625-38-7)红外图谱(IR1) 乙烯基乙酸(625-38-7)质谱(MS) 乙烯基乙酸(625-38-7)核磁图( 13 CNMR)
  • Alfa Aesar:乙烯基乙酸,96%,stab.with0.5%hydroquinone Vinylacetic acid, 96%, stab. with 0.5% hydroquinone(625-38-7)
  • Sigma Aldrich:625-38-7(sigmaaldrich)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  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. Carboxylic Acids - 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. Carboxylic Acids - Carbonyl Compounds
  6. C1 to C5 - Carboxylic Acids
  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. Carboxylic Acids - Carbonyl Compounds
  6. C1 to C5 - Carboxylic Acids
  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. Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. ω-Functional Alkanols, Carboxylic Acids, Amines & Halides

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