4-Benzoylbutyric Acid 4-苯甲酰基丁酸

CAS 1501-05-9 MFCD00004411

化学结构图

1501-05-9
SMILES: O=C(O)CCCC(=O)c1ccccc1

化学属性

Mol. FormulaC11H12O3
Mol. Weight192.21
Melting Point126-129°C
Density1.422
TSCANo
Boiling Point380.8°C at 760 mmHg

别名和识别编码

Chemical Name4-Benzoylbutyric Acid
Synonym 5-Oxo-5-phenylpentanoic acid {LY} 5-Oxo-5-phenylpentanoic acid {} {LY} 5-Oxo-5-phenylpentanoic acid {} {} {LY} 5-Oxo-5-phenylpentanoic acid {} {} {} {LY} 5-Oxo-5-phenylpentanoic acid {} {} {} {} {LY} 5-Oxo-5-phenylpentanoic acid {} {} {} {} {} {LY} 5-Oxo-5-phenylpentanoic acid {} {} {} {} {} {} {LY} 5-Oxo-5-phenylpentanoic acid {} {} {} {} {} {} {} {LY} 5-Oxo-5-phenylpentanoic acid {} {} {} {} {} {} {} {} {LY} 5-Oxo-5-phenylpentanoic acid {} {} {} {} {} {} {} {} {} {LY} 5-Oxo-5-phenylpentanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 5-Oxo-5-phenylpentanoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Oxo-5-phenylpentanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Oxo-5-phenylpentanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Oxo-5-phenylpentanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Oxo-5-phenylpentanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Beilstein Registry Number641947
CAS Number1501-05-9
EC Number216-113-5
MDL NumberMFCD00004411
PubChem Substance ID87559402
Reaxys-RN641947
Chemical Name Translation4-苯甲酰基丁酸
InChIKeySHKWSBAVRQZYLE-UHFFFAOYSA-N
LabNetwork Molecule IDLN00205624
InChIInChI=1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)
Canonical SMILESOC(=O)CCCC(=O)C1=CC=CC=C1
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分类

  • {SA} Building Blocks, C11 to C12, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • Building Blocks, C11 to C12, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Building Blocks, C11 to C12, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Beil. 10 ,IV,2782
  • FT-IR 2 (2), 2589:B / FT-IR 1 (2), 148:A / FT-NMR 1 (2), 999:A / IR-Spectra (2), 819:B / IR-Spectra (3), 935:E / NMR-Reference 2 (2), 144:A / RegBook 1 (2), 1749:B / Structure Index 1 , 279:E:4

安全信息

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。
  • 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
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+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
GHS Symbol
WGK Germany3
Signal word Warning
Hazard statements
  • 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
Hazard Codes Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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 Wear suitable protective clothing 穿戴适当的防护服；
  • S37 Wear suitable gloves 戴适当手套；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/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
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 room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 上游原料:苯 --> 三氯化铝 --> 戌二酸酐
  • Acros Organics:4-苯甲酰丁酸 4-Benzoylbutyric acid, 97%(1501-05-9)
  • Alfa Aesar:4－苯甲酰基-丁酸,98% 4-Benzoylbutyric acid, 98+%(1501-05-9)
  • 图谱信息:4-苯甲酰基丁酸(1501-05-9)核磁图( 1 HNMR) 4-苯甲酰基丁酸(1501-05-9)质谱(MS) 4-苯甲酰基丁酸(1501-05-9)红外图谱(IR2) 4-苯甲酰基丁酸(1501-05-9)核磁图( 13 CNMR) 4-苯甲酰基丁酸(1501-05-9)红外图谱(IR1)
  • Sigma Aldrich:1501-05-9(sigmaaldrich)
  • TCI Shanghai:4-苯甲酰基丁酸 4-Benzoylbutyric Acid,>;95.0%(GC)(T)(1501-05-9)
  • 4-苯甲酰基丁酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B2768 4-苯甲酰基丁酸 4-Benzoylbutyric Acid 5G 384元 2014/06/02 B2768 4-苯甲酰基丁酸 4-Benzoylbutyric Acid 25G 1210元 2010/06/21 105740250 4-苯甲酰基丁酸 4-Benzoylbutyric acid 97% 25 GR 1685元
  • MOL 文件:1501-05-9.mol

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. C11 to C12 - 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
  6. C10

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