CAS 111-16-0 MFCD00004425-Pimelic Acid 庚二酸 TAO{mole}

Pimelic Acid 庚二酸

CAS 111-16-0 MFCD00004425

化学结构图

SMILES: O=C(O)CCCCCC(=O)O

化学属性

Mol. Formula	C7H12O4
Mol. Weight	160.17
Density	1.329
Boiling Point	212°C at 760 mmHg
Melting Point	103-105°C
TSCA	Yes
Solubility	能溶于水，与醇、醚混溶，不溶于冷苯.
Flash Point	212°C/10mm

别名和识别编码

Chemical Name	Pimelic Acid
CAS Number	111-16-0
Alfabeta Name	PIMELICACID
MDL Number	MFCD00004425
EC Number	203-840-8
Beilstein Registry Number	12310024
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 ID	87574633
Merck Number	7431
Reaxys-RN	1210024
Chemical Name Translation	庚二酸
Wiswesser Line Notation	QV5VQ
LabNetwork Molecule ID	LN00173637
Canonical SMILES	O=C(O)CCCCCC(O)=O

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产品应用

生化研究。有机合成。

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 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 {} {} {} {} {} {} {} {} {} {} {

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)