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Diethyl malonate(CAS#105-53-3)

Chemical Property:

Molecular Formula C7H12O4
Molar Mass 160.17
Density 1.055 g/mL at 25 °C (lit.)
Melting Point -51–50 °C (lit.)
Boling Point 199 °C (lit.)
Flash Point 212°F
JECFA Number 614
Water Solubility Miscible with ethyl alcohol, ether, chloroform and benzene. Slightly miscible with water.
Solubility 20.8g/l (External MSDS)
Vapor Presure 1 mm Hg ( 40 °C)
Vapor Density 5.52 (vs air)
Appearance Colorless liquid
Color colourless liquid
Odor Sweet ester odor
Merck 14,3823
BRN 774687
pKa 13.5(at 25℃)
Storage Condition Store below +30°C.
Stability Stable. Combustible. Incompatible with strong oxidizing agents,
Sensitive Sensitive to humidity
Explosive Limit 0.8-12.8%(V)
Refractive Index n20/D 1.413(lit.)
MDL MFCD00009195
Physical and Chemical Properties Character colorless liquid, with a sweet ether odor.
melting point -50 ℃
boiling point 199.3 ℃
relative density 1.0551
refractive index 1.4135
flash point 100 ℃
solubility miscible with alcohols and ethers, soluble in chloroform, benzene and other organic solvents. Slightly soluble in water. The solubility in water is 2.08g/100ml at 20 °c.
Use It is used as an intermediate of sulfanilamide and barbiturate in medicine, and is also an intermediate of perfume and dye.

Product Detail

Product Tags

Hazard Symbols Xi - Irritant
Risk Codes R36/37/38 - Irritating to eyes, respiratory system and skin.
R36 - Irritating to the eyes
Safety Description S24/25 - Avoid contact with skin and eyes.
S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany 1
RTECS OO0700000
TSCA Yes
HS Code 29171910
Hazard Note Irritant
Toxicity LD50 orally in Rabbit: 15720 mg/kg LD50 dermal Rabbit > 16000 mg/kg

 

Introduction

Slightly aromatic. Soluble in alcohol, ether, benzene and chloroform, insoluble in water.

Product Name and CAS Number

Diethyl malonate | CAS 105 53 3

One Line Sourcing Position

High purity Diethyl malonate for malonic ester synthesis and pharmaceutical intermediate production.

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Specification

Purity by GC: 99.0 percent minimum, typical batch 99.3 to 99.6 percent
Appearance: Colorless clear liquid
Density at 20 deg C: 1.050 to 1.055 g per mL
Refractive index nD20: 1.414 to 1.416
Water content Karl Fischer: 0.10 percent maximum
Acid value: 0.50 mg KOH per g maximum
Color APHA: 20 maximum
Residue on evaporation: 0.05 percent maximum
Heavy metals: Less than 10 ppm
Stock Status: In Stock in US warehouse and China hub

Available Quantity and Lead Time

Regular supply: 500 g to 25 metric tons per shipment
Lead time: 2 to 5 days for standard packaging; bulk orders require 7 to 10 days

Document Support

COA SDS HPLC chromatogram NMR spectrum Mass spectrum MS available upon request

Application

Diethyl malonate is a cornerstone reagent in organic synthesis, most famously used in the malonic ester synthesis to prepare substituted acetic acids. This reaction enables the production of barbiturates, non steroidal anti inflammatory drugs (such as ibuprofen and naproxen), and other pharmaceuticals. In agrochemical manufacturing, it serves as an intermediate for pyrethroid insecticides, fungicides, and plant growth regulators. The compound is also a key building block for the synthesis of heterocyclic compounds including pyrimidines, pyrazolones, and quinolinones. In polymer chemistry, diethyl malonate is used to produce malonate based polyesters and as a crosslinking agent in coatings. It acts as a precursor for ethyl cyanoacetate via condensation with cyanamide, which is further used in adhesive and superglue formulations. Flavor and fragrance industries utilize it to prepare fruit esters such as ethyl malonate derivatives. Additionally, diethyl malonate serves as a CH acidic component in Knoevenagel condensations to produce unsaturated diesters for liquid crystal materials and UV absorbers. In academic laboratories, it is a standard teaching tool for alkylation and decarboxylation mechanisms.

Custom Synthesis Support

We offer custom synthesis for diethyl malonate derivatives including alkylated, acylated, and cyano substituted malonates. Share your technical datasheet for feasibility review.

Packaging and Shipping

Available in 500 mL, 1 L, 20 L, 200 L steel drums or IBC totes. Custom packaging such as amber glass bottles with PTFE lined caps is supported. Fastest dispatch within 7 days after order confirmation. Non hazardous under normal transport, store away from strong bases and oxidizers. Keep tightly closed to prevent moisture absorption.

Why XinChem

XinChem provides diethyl malonate with strict control of water content and acid value for US customers. Our ISO 9001 certified facility monitors every batch by GC and Karl Fischer analysis, ensuring consistent reactivity for malonic ester synthesis. We maintain a buffer stock of 15 metric tons in US warehouses for emergency deliveries within 48 hours. Each order includes a full documentation package: COA, SDS, GC chromatograms, and NMR spectra accessible through our online portal. Our technical support team helps with moisture control, alkylation optimization, and regulatory compliance including TSCA, EINECS, and FDA DMF filing support. For contract customers, we offer quarterly price locks and consignment inventory to reduce supply chain risk. Trusted by over 250 pharmaceutical and agrochemical companies in North America. We also provide free sample evaluation for qualified R&D projects and a price match guarantee against any valid competitor quote for equivalent quality. Additionally, we offer repackaging under nitrogen atmosphere for moisture sensitive applications.

FAQ

Q1 How should diethyl malonate be stored to prevent decomposition?
A Store in a cool, dry, well ventilated area. Keep container tightly sealed to avoid moisture ingress, which can cause hydrolysis to malonic acid. Shelf life is 24 months under recommended conditions.

Q2 What purity grades do you supply?
A Standard grade is 99.0 percent by GC. We also supply 99.5 percent grade for pharmaceutical intermediates and electronic applications.

Q3 Is diethyl malonate soluble in water?
A It is slightly soluble in water (about 1 g per 100 mL) but miscible with ethanol, diethyl ether, and most organic solvents.

Q4 Do you provide sample quantities for process development?
A Yes, free samples of 250 mL are available for qualified US companies. Shipping fee applies for small quantities.

Q5 Can you supply diethyl malonate with low water content below 0.05 percent?
A Yes, we offer a low moisture grade with water content less than 0.03 percent, packaged under dry nitrogen.

Q6 What are common impurities you test for?
A We monitor for monoethyl malonate, diethyl malonate dimer, and residual ethanol. Each lot includes a full impurity profile.

Diethyl malonate 105-53-3  COA-1


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