3,3-Dimethylacrylic Acid 3,3-二甲基丙烯酸

CAS 541-47-9 MFCD00004366

化学结构图

541-47-9
SMILES: CC(C)=CC(=O)O

化学属性

Mol. FormulaC5H8O2
Mol. Weight100.12
Boiling Point194.5°C at 760 mmHg
Melting Point65-70°C
Density0.969
Flash Point93.4°C
TSCAYes
Appearance 白色棱状结晶。熔点70℃,沸点199℃,114℃(5.3kPa)。
pH:A

别名和识别编码

Chemical Name3,3-Dimethylacrylic acid
Synonym 3-Methylbut-2-enoic acid {LY} 3-Methylbut-2-enoic acid {} {LY} 3-Methylbut-2-enoic acid {} {} {LY} 3-Methylbut-2-enoic acid {} {} {} {LY} 3-Methylbut-2-enoic acid {} {} {} {} {LY} 3-Methylbut-2-enoic acid {} {} {} {} {} {LY} 3-Methylbut-2-enoic acid {} {} {} {} {} {} {LY} 3-Methylbut-2-enoic acid {} {} {} {} {} {} {} {LY} 3-Methylbut-2-enoic acid {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-enoic acid {} {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-enoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-enoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-enoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-enoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-enoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-enoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-enoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00004366
CAS Number541-47-9
PubChem Substance ID87572578
EC Number208-782-7
Beilstein Registry Number2,432
Chemical Name Translation3,3-二甲基丙烯酸
Reaxys-RN1720305
Wiswesser Line NotationQV1UY1&1
LabNetwork Molecule IDLN00195349
InChIInChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)
Canonical SMILESC/C(C)=C/C(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

产品应用

  • 有机合成中间体。

相关文献及参考

  • Short: IV/8I
  • Short: IV/20B
  • Short: III/38B
  • Beilstein:2,432

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSGQ5425000
Precautionary statements
  • 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。
  • 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+P330+P331
  • P301+P330+P331+P310
  • P303+P361+P353+P310+P363
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P390 Absorb spillage to prevent material damage. 吸收溢出物,防止重大损害。
  • 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.....
Signal word
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;
  • 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;
  • S20 When using do not eat or drink 使用时,不得进食,饮水;
  • 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);
Packing GroupIII
UN Number 3261 UN3261
Risk Statements
Hazard Codes Xi
Hazard Class8
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >3200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   28,313,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 29(4),52,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2580 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 29(4),52,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3560 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/

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

  • 3,3-二甲基丙烯酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0543 3-甲基丁烯酸 3-Methylcrotonic Acid 500G 1460元 2014/06/02 M0543 3-甲基丁烯酸 3-Methylcrotonic Acid 25G 156元 2010/05/25 A16865 3,3-二甲基丙烯酸, 98% 3,3-Dimethylacrylic acid, 98% 25g 203元
  • 用途二:有机合成中间体。
  • 图谱信息:3,3-二甲基丙烯酸(541-47-9)质谱(MS) 3,3-二甲基丙烯酸(541-47-9)红外图谱(IR1) 3,3-二甲基丙烯酸(541-47-9)红外图谱(IR2) 3,3-二甲基丙烯酸(541-47-9)Raman光谱
  • FEMA:3187
  • F:21
  • 上游原料:亚硫酸氢钠 --> 次氯酸钾
  • 下游产品:3,3-二甲基丙烯酸甲酯
  • TCI Shanghai:3-甲基-2-丁烯酸 3-Methylcrotonic Acid,>;98.0%(GC)(T)(541-47-9)
  • Sigma Aldrich:541-47-9(sigmaaldrich)
  • 方法一:异丙叉丙酮和次氯酸钾水溶液在二氧六环中反应,反应放热使生成的氯仿回流。反应毕,加入亚硫酸氢钠与过量的次氯酸盐作用。用硫酸酸化、乙醚提取,从提取液减压蒸馏得到3-甲基-2-丁烯酸。收率49-53%。
  • 用途一:用于涂料等
  • MSDS 信息:3-Methylcrotonic acid(541-47-9).msds
  • MOL 文件:541-47-9.mol
  • Alfa Aesar:3,3-二甲基丙烯酸,98% 3,3-Dimethylacrylic acid, 98%(541-47-9)

系列性分类


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