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CAS: 542-05-2
分子式: C5H6O5
分子量: 146.100
熔点: 133 °C (dec.)(lit.)
中文名称: 
1,3-丙酮二羧酸
丙酮二羧酸
3-戊酮二酸
英文名称: 
1,3-acetonedicarboxylic acid
3-oxo-pentanedioic aci
1,3-Acetone diacrboxylic acid
3-Oxoglutaric acid
3-Oxopentanedioic acid
Acetone-1,3-dicarboxylic acid
3-Ketoglutaric acid
Acetonedicarboxylic Acid
性质描述: 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。
生产方法: 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。
用途: 医药中间体,用于阿托品、山莨菪碱等抗胆碱药物。
推荐供应商
货号品牌产品名称规格包装、参考价格
A800509MACKLIN1,3-丙酮二羧酸97%30元/5g;   41元/25g;   89元/100g;   328元/500g;   1520元/2.5kg;   咨询
储存:-20°C, 充氩
状态:白色到棕褐色粉末或晶体
A953718MACKLIN1,3-丙酮二羧酸90%(以干基计)32元/25g;   66元/100g;   319元/500g;   1364元/2.5kg;   咨询
储存:-20°C, 充氩
状态:白色到棕褐色粉末或晶体
K0006TCI1,3-Acetonedicarboxylic Acid>95.0%(T)330元/25G;   1730元/250G;   咨询

基本信息

纯度/分析方法>95.0%(T)
分子式/分子量C5H6O5 = 146.10
外观与形状(20℃)固体
储存温度<0℃
应避免的情况加热
Reaxys-RN1447081
PubChem物质ID87571946
SDBS (AIST Spectral DB)4215
Merck Index (14)68
MDL编号MFCD00002711

技术规格

AppearanceWhite to Light yellow to Light orange powder to crystal
Purity(Neutralization titration)min. 95.0 %

物性(参考值)

熔点126 ℃(dec.)
溶解性(可溶于)

安全信息

图形或危害标志
信号词警告
危险性说明H315 : 造成皮肤刺激。
H319 : 造成严重眼刺激。
防范说明P264 : 作业后彻底清洗皮肤。
P280 : 戴防护手套/戴防护眼罩/戴防护面具。
P302 + P352 : 如皮肤沾染:用水充分清洗。
P337 + P313 : 如仍觉眼刺激:求医/就诊。
P305 + P351 + P338 : 如进入眼睛:用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出,取出隐形眼镜。继续冲洗。
P362+P364 : 脱掉沾污的衣服,清洗后方可重新使用。
P332 + P313 : 如发生皮肤刺激:求医/就诊。
A13742Alfa AesarAcetone-1,3-dicarboxylic acid97%850元/50g;   3327元/250g;   10578元/1000g;   咨询

应用
Acetone-1,3-dicarboxylic acid is used as a building block in organic chemistry. It is also used in the synthesis of hetrocyclic rings and in the Weiss-Cook reaction, which involves the preparation of cis-bicyclo[3.3.0]octane-3,7-dione by reacting with diacyl (1,2 ketone). Its presence in human urine is used as a diagnostic test for the overgrowth of harmful gut flora such as Candida albicans.

备注
Hygroscopic. Incompatible with strong bases and strong oxidizing agents.

基本信息

MDL
MFCD00002711

EINECS
208-797-9

分子式
C5H6O5

分子量
146.10

熔点
ca 132° dec.

灵敏度
Keep Cold. Hygroscopic.

形态
Powder

溶解性
Soluble in water and alcohol. Slightly soluble in ethyl acetate and ether. Insoluble in chloroform.

Beilstein
1447081

Merck
14,68

GHS危害和防范说明

GHS符号

Hazard Statements
H315-H319-H335
Causes skin irritation.Causes serious eye irritation.May cause respiratory irritation.

Precautionary Statements
P261-P280a-P305+P351+P338-P304+P340-P405-P501a
Avoid breathing dust/fume/gas/mist/vapours/spray.Wear protective gloves and eye/face protection.IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing.Store locked up.Dispose of contents/container in accordance with local/regional/national/international regulations.

安全信息

危险类别
36/37/38
Irritating to eyes, respiratory system and skin.

安全等级
26-37
In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

TSCA

C17315Alfa Aesar1,3-Acetonedicarboxylic Acid96%1456元/100g;   5682元/500g;   咨询

基本信息

Ref#
17315

MDL
2711

分子式
C5 H6 O5

分子量
146.1

闪点
>110

形态
White to pale cream powder

165115Sigma-Aldrich1,3-Acetonedicarboxylic Acidtechnical grade290.2元/25 G;   869.56元/100 G;   咨询

基本信息

线性分子式HOOCCH2COCH2COOH
分子量146.10
Beilstein1447081
EC 号208-797-9
MDL编号MFCD00002711
PubChem化学物质编号24850123
NACRESNA.23

产品性质

等级technical grade
质量水平200
mp133 ℃ (dec.) (lit.)
储存温度−20℃
SMILES stringOC(=O)CC(=O)CC(O)=O
InChI1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)
InChI keyOXTNCQMOKLOUAM-UHFFFAOYSA-N

安全信息

储存分类代码13 - Non Combustible Solids
WGKWGK 3
闪点(F)Not applicable
闪点(C)Not applicable
个人防护装备Eyeshields, Gloves, type N95 (US)
8.20940Sigma-Aldrich3-Oxoglutaric Acidfor synthesis522.5元/50 G;   1577.97元/250 G;   咨询

产品说明

分析说明

Assay (acidimetric): ≥ 96.0 %
Identity (IR):
passes test
Melting range (upper value): ≤ 126 °C
Identity (IR):
passes test

基本信息

经验(实验)分子式C5H6O5
分子量146.10
MDL编号MFCD00002711
EC索引号208-797-9

产品性质

质量水平200
测定≥96.0% (acidimetric)
堆积密度400 kg/m3
储存温度2-8℃
InChI1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)/p-2
InChI keyOXTNCQMOKLOUAM-UHFFFAOYSA-L

安全信息

储存分类代码11 - Combustible Solids
WGKWGK 3
309138Amethyst1,3-Acetonedicarboxylic Acid97%, 试剂级40元/5G;   103元/25G;   268元/100G;   992元/500G;   咨询

基本信息

分子式C5H6O5
分子量146.10
熔点133
MDL编码MFCD00002711
Beilstein1447081
Merck14,68
EINECS 编号208-797-9
存储条件Freezer -20℃

安全信息

防范说明P260
P262
WGK3
TSCA
066651Fluorochem1,3-Acetonedicarboxylic Acid95%330元/25g;   1078元/100g;   1760元/250g;   3300元/500g;   咨询

基本信息

CAS Number542-05-2
MDL NumberMFCD00002711

安全信息

图形或危害标志
危险性说明 H315: Causes skin irritation.
H319: Causes serious eye irritation.
H335: May cause respiratory irritation.
防范说明 P233: Keep container tightly closed.
P260: Do not breathe .
P261: Avoid breathing .
P264: Wash hands thoroughly after handling.
P271: Use only outdoors or in a well-ventilated area.
P280: Wear .
P302 + P352: IF ON SKIN: Wash with plenty of soap and water.
P304: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing..
P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P312: Call a POISON CENTER or doctor/physician if you feel unwell.
P321: Specific treatment (see relevant procedures. on this label).
P332 + P313: If skin irritation occurs: Get medical advice/ attention.
P337 + P313: If eye irritation persists: Get medical advice/attention.
P340: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P362: Take off contaminated clothing and wash before reuse.
P403: Store in a well-ventilated place.
P403 + P233: Store in a well-ventilated place. Keep container tightly closed.
P405: Store locked up.
P501: Dispose of contents/container to in accordance with local regulation .
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