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Merck
CN

W241512

Sigma-Aldrich

乙酰乙酸乙酯

greener alternative

natural, ≥97%, FG

别名:

乙酰醋酸乙酯

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About This Item

线性分子式:
CH3COCH2COOC2H5
CAS号:
分子量:
130.14
FEMA编号:
2415
Beilstein:
385838
EC 号:
欧洲委员会编号:
240c
MDL编号:
UNSPSC代码:
12164502
PubChem化学物质编号:
Flavis编号:
9.402
NACRES:
NA.21
性状检查:
apple; fatty; green; fruity
等级:
FG
Fragrance grade
Halal
Kosher
natural
Agency:
follows IFRA guidelines
食品过敏原:
no known allergens

等级

FG
Fragrance grade
Halal
Kosher
natural

质量水平

Agency

follows IFRA guidelines

管理合规性

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117

蒸汽密度

4.48 (vs air)

蒸汽压

1 mmHg ( 28.5 °C)

方案

≥97%

自燃温度

580 °F

expl. lim.

9.5 %

环保替代产品特性

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

折射率

n20/D 1.418-1.421

沸点

181 °C (lit.)

mp

−43 °C (lit.)

溶解性

water: soluble 35 part
organic solvents: soluble

密度

1.029 g/mL at 20 °C (lit.)

应用

flavors and fragrances

文件

see Safety & Documentation for available documents

食品过敏原

no known allergens

致敏芳香化合物

no known allergens

环保替代产品分类

性状检查

apple; fatty; green; fruity

SMILES字符串

CCOC(=O)CC(C)=O

InChI

1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3

InChI key

XYIBRDXRRQCHLP-UHFFFAOYSA-N

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一般描述

We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives . This product is a Biobased products, showing key improvements in Green Chemistry Principles “Less Hazardous Chemical Syntheses” and “Use of Renewable Feedstock”.

应用


  • Benchtop (19)F Nuclear Magnetic Resonance (NMR) Spectroscopy Provides Mechanistic Insight into the Biginelli Condensation toward the Chemical Synthesis of Novel Trifluorinated Dihydro- and Tetrahydropyrimidinones as Antiproliferative Agents.: This study explores the use of Ethyl acetoacetate in the synthesis of novel trifluorinated compounds with potential antiproliferative properties against cancer cells. The research employs advanced NMR spectroscopy to elucidate the reaction mechanism (Chen et al., 2023, Chen et al., 2023).

  • Synthesis and Characterization of New Dihydronaphthalene Candidates as Potent Cytotoxic Agents against MCF-7 Human Cancer Cells.: This article discusses the creation of dihydronaphthalene derivatives using Ethyl acetoacetate, highlighting their significant cytotoxic activity against breast cancer cells. The synthesized compounds show promise for further development as chemotherapeutic agents (Ahmed et al., 2020, Ahmed et al., 2020).

  • Synthesis and characterization of new 4H-chromene-3-carboxylates ensuring potent elastase inhibition activity along with their molecular docking and chemoinformatics properties.: Utilizing Ethyl acetoacetate, this research focuses on developing 4H-chromene derivatives that exhibit strong elastase inhibition, a key enzyme implicated in various inflammatory diseases. The study integrates molecular docking and chemoinformatics for detailed analysis (Dige et al., 2020, Dige et al., 2020).

储存分类代码

10 - Combustible liquids

WGK

WGK 1

闪点(°F)

164.3 °F - closed cup

闪点(°C)

73.5 °C - closed cup

个人防护装备

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


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分析证书(COA)

Lot/Batch Number

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Gas-phase proton NMR studies of keto-enol tautomerism of acetylacetone, methyl acetoacetate, and ethyl acetoacetate.
Folkendt MM, et al.
The Journal of Physical Chemistry, 89 (15) , 3347-3352 (1985)
Lipase CAL-B does not catalyze a promiscuous decarboxylative aldol addition or Knoevenagel reaction.
Evitt AS and Bornscheuer UT.
Green Chemistry, 13(5), 1141-1142 (2011)
Oxygen vs carbon alkylation of ethyl acetoacetate.
Le Noble WJ and Morris HF.
The Journal of Organic Chemistry, 34(6), 1969-1973 (1969)
Reaction of aromatic amines and ethyl acetoacetate promoted by zeolite HSZ-360. Phosgene-free synthesis of symmetric diphenylureas.
Bigi F and Zambonin E.
Chemical Communications (Cambridge, England), 4, 513-514 (1998)
Structures of the reaction products of tetraalkoxytitanium with acetylacetone and ethyl acetoacetate.
Yamamoto A and Kambara .
Journal of the American Chemical Society, 79(!6), 4344-4348 (1957)

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