Ethyl acetoacetate
ALDRICH/W241512 - natural, ≥97%, FG
Synonym: Acetoacetic ester
CAS Number: 141-97-9
Empirical Formula (Hill Notation): C6H10O3
Molecular Weight: 130.14
EC Number: 205-516-1
MDL Number: MFCD00009199
Linear Formula: CH3COCH2COOC2H5
Product Type: Chemical
agency | follows IFRA guidelines |
application(s) | flavors and fragrances |
assay | ≥97% |
autoignition temp. | 580 °F |
bp | 181 °C (lit.) |
density | 1.029 g/mL at 20 °C (lit.) |
documentation | see Safety & Documentation for available documents |
expl. lim. | 9.5 % |
food allergen | no known allergens |
fragrance allergen | no known allergens |
grade | FG |
Fragrance grade | |
Halal | |
Kosher | |
natural | |
InChI | 1S/C6H10O3/c1-3-9-6(8)4-5 |
InChI key | XYIBRDXRRQCHLP-UHFFFAOYSA |
mp | −43 °C (lit.) |
organoleptic | apple; fatty; green; fruity |
Quality Level | 400 ![]() |
refractive index | n |
reg. compliance | EU Regulation 1223/2009 |
EU Regulation 1334/2008 & 178/2002 | |
FDA 21 CFR 117 | |
SMILES string | CCOC(=O)CC(C)=O |
solubility | organic solvents: soluble |
water: soluble 35 part | |
vapor density | 4.48 (vs air) |
vapor pressure | 1 mmHg ( 28.5 °C) |
Application: | 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. |
General description: | 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. |
General description: | 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. |
Packaging: | 1 kg in glass bottle |
Packaging: | 100 g in glass bottle |
Packaging: | 5 kg in poly drum |
WGK Germany | WGK 1 |
Flash Point(F) | 164.3 °F - closed cup |
Flash Point(C) | 73.5 °C - closed cup |
Purity | ≥97% |
bp | 181 °C (lit.) |
mp | −43 °C (lit.) |
Density | 1.029 g/mL at 20 °C (lit.) |
Refractive Index | n |
FEMA Number | 2415 |
UNSPSC | 12164502 |