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

Catalog Number	PKG Qty.	Price


45-W241512-100G-K	100 g	$65.70 1/EA	Add To Favorites
45-W241512-1KG-K	1 kg	$207.00 1/EA	Add To Favorites
45-W241512-5KG-K	5 kg	$875.00 1/EA	Add To Favorites
45-W241512-SAMPLE-K		$58.50 1/EA	Add To Favorites

12 Principles of Green Chemistry: Principle 3—Less Hazardous Chemical Syntheses. This product manufacturing process was designed with lesser toxicity to human health and the environment.

12 Principles of Green Chemistry: Principle 7—A raw material or feedstock should be renewable rather than depleting whenever technically and economically practicable.

Properties
Descriptions
Safety Info.
Basic Data

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
greener alternative category	Aligned
greener alternative product characteristics	Less Hazardous Chemical Syntheses Use of Renewable Feedstocks Learn more about the Principles of Green Chemistry .
InChI	1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
InChI key	XYIBRDXRRQCHLP-UHFFFAOYSA-N
mp	−43 °C (lit.)
organoleptic	apple; fatty; green; fruity
Quality Level	400
refractive index	n20/D 1.418-1.421
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
sustainability	Greener Alternative Product
vapor density	4.48 (vs air)
vapor pressure	1 mmHg ( 28.5 °C)

Application:	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 ).
General description:	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”.
Packaging:	1 drum in poly bottle
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	n20/D 1.418-1.421
FEMA Number	2415
UNSPSC	12164502

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