Diethyl fumarate

Name: Diethyl fumarate
Brand: MedChemExpress
SKU: HY-W010056
Rating: 4.5 (1 reviews)

Cat. No.: HY-W010056 Purity: 99.40%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

Diethyl fumarate is a decomposition product of Malathion (an insecticide). Diethyl fumarate is a reputed skin irritant. Diethyl fumarate can causes non-immunologic contact urticaria on skin.

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

Diethyl fumarate Chemical Structure

CAS No. : 623-91-6

Size	Price	Stock	Quantity
Liquid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 28	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 28	In-stock	Estimated Time of Arrival: December 31
Liquid
500 mg	USD 25	In-stock	Estimated Time of Arrival: December 31
1 g	USD 40	In-stock	Estimated Time of Arrival: December 31
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10 g		Get quote

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Biological Activity
Purity & Documentation
References
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Description

Diethyl fumarate is a decomposition product of Malathion (an insecticide). Diethyl fumarate is a reputed skin irritant. Diethyl fumarate can causes non-immunologic contact urticaria on skin^[1]^[2].

Molecular Weight

172.18

Formula

C₈H₁₂O₄

CAS No.

623-91-6

Appearance

Liquid (Density: 1.052 g/cm³)

Color

Colorless to light yellow

SMILES

O=C(OCC)/C=C/C(OCC)=O

Structure Classification

Others

Initial Source

Endogenous metabolite

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Pure form	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 140 mg/mL (813.10 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

H₂O : 3 mg/mL (17.42 mM; Need ultrasonic)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	5.8079 mL	29.0394 mL	58.0788 mL
5 mM	1.1616 mL	5.8079 mL	11.6158 mL
10 mM	0.5808 mL	2.9039 mL	5.8079 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. 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.

Molarity Calculator
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:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 3.5 mg/mL (20.33 mM); Clear solution

This protocol yields a clear solution of ≥ 3.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (35.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 3.5 mg/mL (20.33 mM); Clear solution

This protocol yields a clear solution of ≥ 3.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (35.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 3.5 mg/mL (20.33 mM); Clear solution

This protocol yields a clear solution of ≥ 3.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (35.0 mg/mL) to 900 μL Corn oil, and mix evenly.

For the following dissolution methods, please prepare the working solution directly. It is recommended to prepare fresh solutions and use them promptly within a short period of time.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: PBS
Solubility: 100 mg/mL (580.79 mM); Clear solution; Need ultrasonic

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

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

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

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).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.40%

Select Batch:

Data Sheet (268 KB) SDS (393 KB)

COA (243 KB) HNMR (117 KB) GC (115 KB)

Handling Instructions (2659 KB)

References

[1]. Jr FA, et, al. Gas chromatographic determination of diethyl fumarate in malathion extracts and preparations used for control of body lice. J Econ Entomol. 1968 Apr;61(2):457-9. [Content Brief]

[2]. Lahti A, et, al. Contact urticaria from diethyl fumarate. Contact Dermatitis. 1985 Mar;12(3):139-40. [Content Brief]

Complete Stock Solution Preparation Table

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

H₂O / DMSO	1 mM	5.8079 mL	29.0394 mL	58.0788 mL	145.1969 mL
	5 mM	1.1616 mL	5.8079 mL	11.6158 mL	29.0394 mL
	10 mM	0.5808 mL	2.9039 mL	5.8079 mL	14.5197 mL
	15 mM	0.3872 mL	1.9360 mL	3.8719 mL	9.6798 mL
DMSO	20 mM	0.2904 mL	1.4520 mL	2.9039 mL	7.2598 mL
	25 mM	0.2323 mL	1.1616 mL	2.3232 mL	5.8079 mL
	30 mM	0.1936 mL	0.9680 mL	1.9360 mL	4.8399 mL
	40 mM	0.1452 mL	0.7260 mL	1.4520 mL	3.6299 mL
	50 mM	0.1162 mL	0.5808 mL	1.1616 mL	2.9039 mL
	60 mM	0.0968 mL	0.4840 mL	0.9680 mL	2.4199 mL
	80 mM	0.0726 mL	0.3630 mL	0.7260 mL	1.8150 mL
	100 mM	0.0581 mL	0.2904 mL	0.5808 mL	1.4520 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.