CAS 542-05-2 MFCD00002711-Acetone-1,3-dicarboxylic acid 1,3-丙酮二羧酸 TAO{mole}

Acetone-1,3-dicarboxylic acid 1,3-丙酮二羧酸

CAS 542-05-2 MFCD00002711

化学结构图

SMILES: O=C(O)CC(=O)CC(=O)O

化学属性

Mol. Formula	C5H6O5
Mol. Weight	146.10
Melting Point	133°C
Density	1.499
TSCA	Yes
Solubility	可溶
Stability	易吸潮
Appearance	无色针状结晶。熔点135℃（分解）。易溶于水和醇，不溶于氯仿和苯，微溶于醚及乙酸乙酯。
Boiling Point	408.4°C at 760 mmHg

别名和识别编码

Chemical Name	Acetone-1,3-dicarboxylic acid
CAS Number	542-05-2
Alfabeta Name	ACETONEDICARBOXYLICACID 13-,
MDL Number	MFCD00002711
Synonym	3-Oxopentanedioic acid {LY} 3-Oxopentanedioic acid {} {LY} 3-Oxopentanedioic acid {} {} {LY} 3-Oxopentanedioic acid {} {} {} {LY} 3-Oxopentanedioic acid {} {} {} {} {LY} 3-Oxopentanedioic acid {} {} {} {} {} {LY} 3-Oxopentanedioic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxopentanedioic acid {} {} {} {} {} {} {} {LY} 3-Oxopentanedioic acid {} {} {} {} {} {} {} {} {LY} 3-Oxopentanedioic acid {} {} {} {} {} {} {} {} {} {LY} 3-Oxopentanedioic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxopentanedioic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxopentanedioic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxopentanedioic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxopentanedioic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxopentanedioic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxopentanedioic acid {} {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number	3,789
PubChem Substance ID	68328
EC Number	208-797-9
Reaxys-RN	1447081
Merck Number	68
Chemical Name Translation	1,3-丙酮二羧酸
LabNetwork Molecule ID	LN00173782
InChI	InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)
Canonical SMILES	O=C(CC(O)=O)CC(O)=O

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品牌质保精细包装现货库存一流品牌服务

产品应用

医药中间体，用于阿托品、山莨菪碱等抗胆碱药物。

安全信息

Warnings IRRITANT

WGK Germany3

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Signal word Warning

GHS Symbol

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
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；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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
R44 Risk of explosion if heated under confinement 密封下加热有爆炸危险

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。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
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+P350
P302+P352
P302+P352+P332+P313+P362+P364
P304+P340
P305+P351+P338
P305+P351+P338+P337+P313
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。
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
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
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Storage condition -20°C, sealed storage, away from moisture {LY} -20°C, sealed storage, away from moisture 2-8°C 2-8°C储存 <0°C <;0 Hygroscopic {} {LY} -20°C, sealed storage, away from moisture {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {

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

其他信息

上游原料:发烟硫酸 --> 柠檬
Alfa Aesar:1,3-丙酮二羧酸,97% Acetone-1,3-dicarboxylic acid, 97%(542-05-2)
TCI Shanghai:丙酮二羧酸 Acetonedicarboxylic Acid,>;95.0%(T)(542-05-2)
F:3
海关编码:29183000
易溶于水和醇，不溶于轻石油、氯仿和苯，微溶于醚及乙酸乙酯；在热水、酸、碱、CO2 和丙酮中分解。
图谱信息:1,3-丙酮二羧酸(542-05-2)红外图谱(IR2) 1,3-丙酮二羧酸(542-05-2)红外图谱(IR1)
Sigma Aldrich:542-05-2(sigmaaldrich)
敏感性:Hygroscopic
下游产品:6-乙酰氧基托品酮 --> 6-乙酰氧基托品 --> 1,3-丙酮二羧酸二乙酯 --> Α-甲酰基苯乙酸8-(1-甲基乙基)-8-氮杂双环[3.2.1]辛酯 --> Α-(羟甲基)苯乙酸8-(1-甲基乙基)-8-氮杂双环[3.2.1]辛-3-基酯 --> 托品酮 --> 6-羟基托品酮
1,3-丙酮二羧酸价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 K0006 丙酮二羧酸 Acetonedicarboxylic Acid 250G 1070元 2014/06/02 K0006 丙酮二羧酸 Acetonedicarboxylic Acid 25G 226元 2010/06/21 173155000 1,3-丙酮二羧酸 1,3-Acetonedicarboxylic acid 96% 500 GR 2222元
用途一:医药中间体，用于阿托品、山莨菪碱等抗胆碱药物。
存储注意事项:氮气保护
MSDS 信息:3-Oxoglutaric acid(542-05-2).msds
MOL 文件:542-05-2.mol
Acros Organics:1,3-丙酮二羧酸 1,3-Acetonedicarboxylic acid, 96%(542-05-2)
方法一:以柠檬酸为原料，在浓硫酸存在下脱甲酸制得。工业过程，在反应罐中先投入发烟硫酸，,冷却到50℃以下时在搅拌下分次加入柠檬酸。重量配料比为柠檬酸：发烟硫酸1：2.34.加料结束，升温至40-45℃，保温反应3h时，然后降温至10℃以下，滴加常水(保温在40℃以下)，然后冷至15℃左右，离心，用冰水冲洗，甩干得成品。