Merck
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W241512

Sigma-Aldrich

Ethyl acetoacetate

natural, ≥97%, FG

Synonym(s):
Acetoacetic ester
Linear Formula:
CH3COCH2COOC2H5
CAS Number:
Molecular Weight:
130.14
Número FEMA:
2415
Beilstein:
385838
Número EC:
Conselho da Europa nº:
240c
Número MDL:
ID de substância PubChem:
Número de Flavis:
9.402
NACRES:
NA.21

grau

FG
Fragrance grade
Halal
Kosher
natural

Nível de qualidade

400

Agency

follows IFRA guidelines

reg. compliance

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)

teor

≥97%

temperatura de autoignição

580 °F

Lim. expl.

9.5 %

índice de refração

n20/D 1.418-1.421

pb

181 °C (lit.)

pf

−43 °C (lit.)

solubilidade

water: soluble 35 part
organic solvents: soluble

densidade

1.029 g/mL at 20 °C (lit.)

application(s)

flavors and fragrances

Documentação

see Safety & Documentation for available documents

alérgeno alimentar

no known allergens

alérgeno de fragrância

no known allergens

Organoléptico

apple; fatty; green; fruity

SMILES string

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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Descrição geral

Ethyl acetoacetate is a bidentate chelating agent. It reacts with tetraalkoxy titanium to afford stable titanic esters. Its reaction with various alkylating reagents has been studied.
Ethyl acetoacetate is ethyl ester of acetoacetic acid. Ethyl acetoacetate exhibits keto-enol tautomerism. Ethyl acetoacetate reacts with aromatic amines in the presence of commercially available zeolite HSZ-360 to form symmetric diphenylureas.

Aplicação

Ethyl acetoacetate was used to investigate the catalytic activity of lipase B from Candida antarctica (CAL-B) during decarboxylative aldol addition and Knoevenagel reaction between 4-nitrobenzaldehyde (4-NBA) and ethyl acetoacetate. Ethyl acetoacetate has been used in quantitative determination of urinary δ-aminolevulinic acid by condensation reaction.

Embalagem

100 g in glass bottle
1 kg in glass bottle
5 kg in poly drum

Código de classe de armazenamento

10 - Combustible liquids

WGK

WGK 1

Ponto de fulgor (ºF)

164.3 °F - closed cup

Ponto de fulgor (ºC)

73.5 °C - closed cup

Equipamento de proteção individual

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificate of Analysis

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Certificate of Origin

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