Ethyl acetoacetate-d₃

Name: Ethyl acetoacetate-d 3
Brand: MedChemExpress
SKU: HY-Y1093S4
Rating: 4.5 (1 reviews)

Cat. No.: HY-Y1093S4 Purity: ≥98.0%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

Ethyl acetoacetate-d₃ is the deuterium labeled Ethyl acetoacetate. Ethyl acetoacetate (Ethyl acetylacetate) is an ester widely used as an intermediate in the synthesis of many varieties of compounds[1][2][3]. Ethyl acetoacetate is an inhibitor of bacterial biofilm[4].

For research use only. We do not sell to patients.

Ethyl acetoacetate-d<sub>3</sub> Chemical Structure

Ethyl acetoacetate-d₃ Chemical Structure

CAS No. : 1565868-21-4

Size	Price	Stock	Quantity
5 mg	USD 250	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 420	In-stock	Estimated Time of Arrival: December 31
50 mg		Get quote
100 mg		Get quote

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Based on 1 publication(s) in Google Scholar

Other Forms of Ethyl acetoacetate-d₃:

Ethyl acetoacetate Get quote

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Purity & Documentation
References
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Description

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs^[5].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

133.16

Formula

C₆H₇D₃O₃

CAS No.

1565868-21-4

Appearance

Liquid

Color

Colorless to light yellow

SMILES

CCOC(CC(C([2H])([2H])[2H])=O)=O

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, sealed storage, away from moisture and light

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (750.98 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

H₂O : 100 mg/mL (750.98 mM; Need ultrasonic)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	7.5098 mL	37.5488 mL	75.0976 mL
5 mM	1.5020 mL	7.5098 mL	15.0195 mL
10 mM	0.7510 mL	3.7549 mL	7.5098 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

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Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
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Dosing volume
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μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Calculation results:

Working solution concentration: mg/mL

This product has good water solubility, please refer to the measured solubility data in water/PBS/Saline for details.

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only.If necessary, please contact MedChemExpress (MCE).

Purity & Documentation

Purity: ≥98.0%

Select Batch:

Data Sheet (271 KB) SDS (393 KB)

COA (246 KB) HNMR (221 KB)

Handling Instructions (2659 KB)

References

[1]. Rao M.Uppu, et al. Enantioselective catalytic asymmetric hydrogenation of ethyl acetoacetate in room temperature ionic liquids. Biochemical and Biophysical Research Communications. 1996 Dec; 229(3):764-769.

[2]. Leo F. Salter, et al. A dual‐frequency Belousov Zhabotinskii oscillating reaction with ethyl acetoacetate as organic substrate. substrate. International Journal of Chemical Kinetics. 1982. 14(8), 815–821.

[3]. Iqbal S, et al. 2-Oxo-1,2,3,4-tetrahydropyrimidines Ethyl Esters as Potent β- Glucuronidase Inhibitors: One-pot Synthesis, In vitro and In silico Studies. Med Chem. 2018;14(8):818-830.

[4]. Horne SM, et al. Acetoacetate and ethyl acetoacetate as novel inhibitors of bacterial biofilm. Lett Appl Microbiol. 2018 Apr;66(4):329-339. [Content Brief]

[5]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-223. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO / DMSO / H₂O / H₂O	1 mM	7.5098 mL	37.5488 mL	75.0976 mL	187.7441 mL
	5 mM	1.5020 mL	7.5098 mL	15.0195 mL	37.5488 mL
	10 mM	0.7510 mL	3.7549 mL	7.5098 mL	18.7744 mL
	15 mM	0.5007 mL	2.5033 mL	5.0065 mL	12.5163 mL
	20 mM	0.3755 mL	1.8774 mL	3.7549 mL	9.3872 mL
	25 mM	0.3004 mL	1.5020 mL	3.0039 mL	7.5098 mL
	30 mM	0.2503 mL	1.2516 mL	2.5033 mL	6.2581 mL
	40 mM	0.1877 mL	0.9387 mL	1.8774 mL	4.6936 mL
	50 mM	0.1502 mL	0.7510 mL	1.5020 mL	3.7549 mL
	60 mM	0.1252 mL	0.6258 mL	1.2516 mL	3.1291 mL
	80 mM	0.0939 mL	0.4694 mL	0.9387 mL	2.3468 mL
	100 mM	0.0751 mL	0.3755 mL	0.7510 mL	1.8774 mL

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.