2-Phenylbutanoic acid 2-苯基丁酸

CAS 90-27-7 MFCD00002667

化学结构图

90-27-7
SMILES: CCC(C(=O)O)c1ccccc1

化学属性

Mol. FormulaC10H12O2
Mol. Weight164.20
Boiling Point270-272°C at 760 mmHg
Melting Point39-42°C
Density0.62
Refractive index1.5150
Flash Point113°C
TSCAYes
Solubility不溶
Appearance 黄色至白色结晶。

别名和识别编码

Chemical Name2-Phenylbutanoic acid
CAS Number90-27-7
Synonym 2-Phenylbutanoic acid {LY} 2-Phenylbutanoic acid {} {LY} 2-Phenylbutanoic acid {} {} {LY} 2-Phenylbutanoic acid {} {} {} {LY} 2-Phenylbutanoic acid {} {} {} {} {LY} 2-Phenylbutanoic acid {} {} {} {} {} {LY} 2-Phenylbutanoic acid {} {} {} {} {} {} {LY} 2-Phenylbutanoic acid {} {} {} {} {} {} {} {LY} 2-Phenylbutanoic acid {} {} {} {} {} {} {} {} {LY} 2-Phenylbutanoic acid {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbutanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbutanoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbutanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbutanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbutanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbutanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbutanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87574414
EC Number201-982-5
Beilstein Registry Number9(3)2461
MDL NumberMFCD00002667
Reaxys-RN509876
Chemical Name Translation2-苯基丁酸
Wiswesser Line NotationQVY2&R
LabNetwork Molecule IDLN00227118
InChIInChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
Canonical SMILESCCC(C1=CC=CC=C1)C(O)=O
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分类

  • Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SA} Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

产品应用

  • A metabolite of Butamirate.

相关文献及参考

  • Bohner, H.
  • Beilstein:9(3)2461

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
RTECSET5957500
Signal word
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
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
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
  • 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。
  • 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+P312+P330
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 320 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#03832

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1060 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 16,23,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1320 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 13,286,1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1154 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   100,143,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE O

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at r

其他信息

  • 海关编码:29163900
  • Sigma Aldrich:90-27-7(sigmaaldrich)
  • MOL 文件:90-27-7.mol
  • Alfa Aesar:(±)-2-苯基丁酸,98% (+/-)-2-Phenylbutyric acid, 98%(90-27-7)
  • 图谱信息:2-苯基丁酸(90-27-7)质谱(MS) 2-苯基丁酸(90-27-7)核磁图( 13 CNMR) 2-苯基丁酸(90-27-7)Raman光谱 2-苯基丁酸(90-27-7)红外图谱(IR2) 2-苯基丁酸(90-27-7)核磁图( 1 HNMR) 2-苯基丁酸(90-27-7)红外图谱(IR1)
  • 下游产品:2-(4-硝基苯基)丁酸 --> Α-(对氨基苯基)丁酸
  • 2-苯基丁酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0164 2-苯基丁酸 2-Phenylbutyric Acid 500G 1670元 2014/06/02 P0164 2-苯基丁酸 2-Phenylbutyric Acid 25G 208元 2010/05/25 B23222 (±)-2-苯基丁酸, 98% (+/-)-2-Phenylbutyric acid, 98% 500g 1610元
  • TCI Shanghai:2-苯基丁酸 2-Phenylbutyric Acid,>;98.0%(GC)(T)(90-27-7)
  • MSDS 信息:alpha-Ethylphenylacetic acid(90-27-7).msds
  • 检测方法:HPLC,NMR
  • Acros Organics:2-苯基丁酸 2-Phenylbutyric acid, 98%(90-27-7)

系列性分类


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