W241512

Ethyl acetoacetate

natural, ≥97%, FG

• Sinônimo(s): Acetoacetic ester
• Fórmula linear: CH₃COCH₂COOC₂H₅
• Número CAS: 141-97-9
• Peso molecular: 130.14
• Número FEMA: 2415
• Beilstein: 385838
• Número CE: 205-516-1
• Conselho da Europa nº: 240c
• Número MDL: MFCD00009199
• Código UNSPSC: 12164502
• ID de substância PubChem: 24901056
• Número de Flavis: 9.402
• NACRES: NA.21

Propriedades

• grau: FG; Fragrance grade; Halal; Kosher; natural
• Nível de qualidade: 300; 400
• Agency: follows IFRA guidelines
• conformidade reg.: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 117
• densidade de vapor: 4.48 (vs air)
• pressão de vapor: 1 mmHg ( 28.5 °C)
• Ensaio: ≥97%
• temperatura de autoignição: 580 °F
• Lim. expl.: 9.5 %
• características do produto alternativo mais ecológico: Less Hazardous Chemical Syntheses; Use of Renewable Feedstocks; Learn more about the Principles of Green Chemistry.
• sustainability: Greener Alternative Product
• índice de refração: n20/D 1.418-1.421
• p.e.: 181 °C (lit.)
• pf: −43 °C (lit.)
• solubilidade: water: soluble 35 part; organic solvents: soluble
• densidade: 1.029 g/mL at 20 °C (lit.)
• aplicação(ões): flavors and fragrances
• Documentação: see Safety & Documentation for available documents
• alérgeno alimentar: no known allergens
• alérgeno de fragrância: no known allergens
• categoria alternativa mais ecológica: Aligned
• Organoléptico: apple; fatty; green; fruity
• cadeia de caracteres SMILES: CCOC(=O)CC(C)=O
• InChI: 1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
• chave InChI: XYIBRDXRRQCHLP-UHFFFAOYSA-N

Descrição

Descrição geral

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”.

Aplicação

• 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).

Informações de segurança

• Código de classe de armazenamento: 10 - Combustible liquids
• Classe de risco de água (WGK): WGK 1
• Ponto de fulgor (°F): 164.3 °F - closed cup
• Ponto de fulgor (°C): 73.5 °C - closed cup
• Equipamento de proteção individual: Eyeshields, Gloves, type ABEK (EN14387) respirator filter