W241512

Ethyl acetoacetate

natural, ≥97%, FG

• Sinónimos: Acetoacetic ester
• Fórmula lineal: CH₃COCH₂COOC₂H₅
• Número de CAS: 141-97-9
• Peso molecular: 130.14
• Número de FEMA: 2415
• Beilstein: 385838
• Número CE: 205-516-1
• nº del Consejo Europeo: 240c
• Número MDL: MFCD00009199
• Código UNSPSC: 12164502
• ID de la sustancia en PubChem: 24901056
• Número Flavis: 9.402
• NACRES: NA.21

Propiedades

• grado: FG; Fragrance grade; Halal; Kosher; natural
• Nivel de calidad: 400
• Agency: follows IFRA guidelines
• cumplimiento norm.: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 117
• densidad de vapor: 4.48 (vs air)
• presión de vapor: 1 mmHg ( 28.5 °C)
• Análisis: ≥97%
• temp. de autoignición: 580 °F
• lim. expl.: 9.5 %
• características de los productos alternativos más sostenibles: Less Hazardous Chemical Syntheses; Use of Renewable Feedstocks; Learn more about the Principles of Green Chemistry.
• sustainability: Greener Alternative Product
• índice de refracción: n20/D 1.418-1.421
• bp: 181 °C (lit.)
• mp: −43 °C (lit.)
• solubilidad: water: soluble 35 part; organic solvents: soluble
• densidad: 1.029 g/mL at 20 °C (lit.)
• aplicaciones: flavors and fragrances
• Documentación: see Safety & Documentation for available documents
• alérgeno alimentario: no known allergens
• alérgeno de la fragancia: no known allergens
• categoría alternativa más sostenible: Aligned
• Organoléptico: apple; fatty; green; fruity
• cadena SMILES: CCOC(=O)CC(C)=O
• InChI: 1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
• Clave InChI: XYIBRDXRRQCHLP-UHFFFAOYSA-N

Descripción

Descripción general

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”.

Aplicación

• 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).

Información de seguridad

• Código de clase de almacenamiento: 10 - Combustible liquids
• Clase de riesgo para el agua (WGK): WGK 1
• Punto de inflamabilidad (°F): 164.3 °F - closed cup
• Punto de inflamabilidad (°C): 73.5 °C - closed cup
• Equipo de protección personal: Eyeshields, Gloves, type ABEK (EN14387) respirator filter