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Merck
CN

E47808

丙酮酸乙酯

98%

别名:

2-氧代丙酸乙酯, 乙基2-氧代丙酸酯, 乙基甲基乙醛酸酯, 甲基乙氧基羰基酮

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关于此项目

线性分子式:
CH3COCOOC2H5
化学文摘社编号:
分子量:
116.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-511-2
Beilstein/REAXYS Number:
1071466
MDL number:
Assay:
98%
Form:
liquid
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Quality Level

assay

98%

form

liquid

refractive index

n20/D 1.404 (lit.)

bp

144 °C (lit.)

density

1.045 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CCOC(=O)C(C)=O

InChI

1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3

InChI key

XXRCUYVCPSWGCC-UHFFFAOYSA-N

Application

丙酮酸乙酯可与硝基甲烷通过不对称Henry反应形成α-羟基β-硝基酯化合物。它可用作α-酮酸酯的模型化合物,研究对映选择性氢化反应机制。


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pictograms

FlameCorrosion

signalword

Danger

Hazard Classifications

Aquatic Chronic 3 - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B

存储类别

3 - Flammable liquids

wgk

WGK 3

flash_point_f

114.8 °F - closed cup

flash_point_c

46 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

法规信息

危险化学品

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Highly Enantioselective Henry (Nitroaldol) Reaction of Aldehydes and ?-Ketoesters Catalyzed by N,N'-Dioxide-Copper (I) Complexes.
Qin B, et al.
The Journal of Organic Chemistry, 72(24), 9323-9328 (2007)
98% Enantioselectivity in the asymmetric synthesis of a useful chiral building block by heterogeneous method: Enantioselective hydrogenation of ethyl-benzoylformate over cinchona modified Pt/Al2 O3 catalysts in the acetic acid.
Sutyinszki M, et al.
Catalysis Communications, 3(3), 125-127 (2002)
Lin Sun et al.
Journal of neurotrauma, 36(3), 421-435 (2018-06-23)
High mobility group box-1 (HMGB1) could function as an early trigger for pro-inflammatory activation after spinal cord injury (SCI). Spinal cord edema contributes to inflammatory response mechanisms and a poor clinical prognosis after SCI, for which efficient therapies targeting the



全球贸易项目编号

货号GTIN
E47808-25G04061833604038
E47808-100G04061833604021