Pimelic Acid 庚二酸

CAS 111-16-0 MFCD00004425

化学结构图

111-16-0
SMILES: O=C(O)CCCCCC(=O)O

化学属性

Mol. FormulaC7H12O4
Mol. Weight160.17
Density1.329
Boiling Point212°C at 760 mmHg
Melting Point103-105°C
TSCAYes
Solubility能溶于水，与醇、醚混溶，不溶于冷苯.
Flash Point212°C/10mm

别名和识别编码

Chemical NamePimelic Acid
CAS Number111-16-0
Alfabeta NamePIMELICACID
MDL NumberMFCD00004425
EC Number203-840-8
Beilstein Registry Number12310024
Synonym Pimelic acid {LY} Pimelic acid {} {LY} Pimelic acid {} {} {LY} Pimelic acid {} {} {} {LY} Pimelic acid {} {} {} {} {LY} Pimelic acid {} {} {} {} {} {LY} Pimelic acid {} {} {} {} {} {} {LY} Pimelic acid {} {} {} {} {} {} {} {LY} Pimelic acid {} {} {} {} {} {} {} {} {LY} Pimelic acid {} {} {} {} {} {} {} {} {} {LY} Pimelic acid {} {} {} {} {} {} {} {} {} {} {LY} Pimelic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Pimelic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pimelic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pimelic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pimelic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pimelic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pimelic acid {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87574633
Merck Number7431
Reaxys-RN1210024
Chemical Name Translation庚二酸
Wiswesser Line NotationQV5VQ
LabNetwork Molecule IDLN00173637
Canonical SMILESO=C(O)CCCCCC(O)=O
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分类

  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carboxylic acid; 1fragment

产品应用

  • 生化研究。有机合成。

相关文献及参考

  • Merck:14,7431 Beilstein:2(4)2003
  • Merck:14,7431
  • Short: EINECS
  • Short: III/5a
  • Short: IV/18B
  • Short: IV/8A
  • Short: IV/20B

安全信息

Warnings IRRITANT
Signal word Warning
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 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
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
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。
  • P305+P351+P338
  • P305+P351+P338+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
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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSTK3677000
Hazard Codes Xi
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 7 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York,
   Academic Press, Inc., 1969  Volume(issue)/page/year: -,477,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4800 mg/kg
TOXIC EFFECTS :
   Tumorigenic - active as anti-cancer agent
REFERENCE :
   BIJOAK Biochemical Journal.  (Biochemical Soc. Book Depot, POB 32, Commerce
   Way, Colchester, Essex CO2 8HP, UK)  V.1-    1906- Volume(issue)/page/year:
   34,1196,1940

其他信息

  • MSDS 信息:1,5-Pentanedicarboxylic acid(111-16-0).msds
  • 上游原料:异戊醇
  • 能升华。易溶于乙醇和乙醚，溶于水（13.5℃，2.52份溶于100份)、乙醇和丙酮,几乎不溶于苯，在甲苯溶液中能转变为顺式巴豆酸。 低毒，半数致死量（大鼠，经口）4850mg/kg。
  • 下游产品:L-赖氨酸 --> L-赖氨酸盐酸盐 --> 庚二酸二甲酯 --> 庚二酸二乙酯
  • 方法一:将金属钠投入100℃的异戊醇中，继续加热使剧烈回流，滴加水杨酸溶于异戊醇的溶液。回流反应结束后，冷至100℃，搅拌下加入热水，静置分取水层进行水蒸汽蒸馏，除尽异戊醇，收集馏出液至一定量为止。将蒸馏瓶内物料冷却，加入浓盐酸，再进行水蒸汽蒸馏除去水杨酸。然后将残液浓缩至析出氯化钠，冷却析出庚二酸与氯化钠的混合物。将混合物用苯提取，从提取液中浓缩结晶出庚二酸。收率43-50%。
  • 用途一:一般用于生化研究，也用于制备聚合物，还可作为增塑剂的原料
  • Acros Organics:庚二酸 Pimelic acid, 98%(111-16-0)
  • MOL 文件:111-16-0.mol
  • Hazard Note:Irritant
  • Sigma Aldrich:111-16-0(sigmaaldrich)
  • 检测方法:T
  • 庚二酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0435 庚二酸 Pimelic Acid 25G 318元 2014/06/02 P0435 庚二酸 Pimelic Acid 500G 3400元 2010/06/21 131231000 庚二酸 Pimelic acid 98% 100 GR 1531元
  • TCI Shanghai:庚二酸 Pimelic Acid,>;98.0%(GC)(T)(111-16-0)
  • 海关编码:29171990
  • 外观:白色单斜晶体
  • Alfa Aesar:庚二酸,98+% Pimelic acid, 98+%(111-16-0)
  • 图谱信息:庚二酸(111-16-0)质谱(MS) 庚二酸(111-16-0)核磁图( 13 CNMR) 庚二酸(111-16-0)红外图谱(IR2) 庚二酸(111-16-0)红外图谱(IR1) 庚二酸(111-16-0)核磁图( 1 HNMR)

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. C7 - 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. C6
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)