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Diethyl malonate

Diethyl malonate Structure
Diethyl malonate structure
CAS No.
105-53-3
Chemical Name:
Diethyl malonate
Synonyms
DEM;ETHYL MALONATE;DIETHYL PROPANEDIOATE;MALONIC ESTER;MALONIC ACID DIETHYL ESTER;Diethyi malonate;FEMA 2375;Diethyl malonat;JACS-105-53-3;DIETHYL MALONATE
CBNumber:
CB8852658
Molecular Formula:
C7H12O4
Molecular Weight:
160.17
MDL Number:
MFCD00009195
MOL File:
105-53-3.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-04-22 18:57:36
Product description Number Pack Size Price
Diethyl malonate ≥98%, FG W237507 1 each $55.9
Diethyl malonate for synthesis 8.00898 100mL $43.4
Diethyl malonate for synthesis 8.00898 500mL $63.4
Diethyl malonate for synthesis 8.00898 1L $95.7
Diethyl malonate for synthesis 8.00898 2.5L $173
More product size
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Diethyl malonate Properties

Melting point -51--50 °C (lit.)
Boiling point 199 °C (lit.)
Density 1.055 g/mL at 25 °C (lit.)
vapor density 5.52 (vs air)
vapor pressure 1 mm Hg ( 40 °C)
FEMA 2375 | DIETHYL MALONATE
FLAVIS Number 09.490 | Diethyl malonate
refractive index n20/D 1.413(lit.)
Flash point 212 °F
storage temp. Store below +30°C.
solubility 20.8g/l (External MSDS)
pka 13.5(at 25℃)
form Liquid
color colourless liquid
Odor Sweet ester odor
Odor Type fruity
biological source synthetic
explosive limit 0.8-12.8%(V)
Water Solubility Miscible with ethyl alcohol, ether, chloroform and benzene. Slightly miscible with water.
Merck 14,3823
JECFA Number 614
BRN 774687
Henry's Law Constant 3.9×100 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant 7.9（21℃）
Stability Stable. Combustible. Incompatible with strong oxidizing agents,
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
Cosmetic Ingredient Review (CIR) Diethyl malonate (105-53-3)
InChI 1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
InChIKey IYXGSMUGOJNHAZ-UHFFFAOYSA-N
SMILES CCOC(=O)CC(=O)OCC
LogP 0.96 at 20℃
Substances Added to Food (formerly EAFUS) DIETHYL MALONATE
CAS DataBase Reference 105-53-3(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 53A58PA183
NIST Chemistry Reference Propanedioic acid, diethyl ester(105-53-3)
EPA Substance Registry System Diethyl malonate (105-53-3)
UNSPSC Code 12352108
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P264-P280-P305+P351+P338-P337+P313
PPE Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes  Xi
Risk Statements  36/37/38-36
Safety Statements  24/25-26
WGK Germany  1
RTECS  OO0700000
Autoignition Temperature 435 °C DIN 51794
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  29171910
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Hazardous Substances Data 105-53-3(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 15720 mg/kg LD50 dermal Rabbit > 16000 mg/kg
NFPA 704
1
0

Diethyl malonate price More Price(56)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich W237507 Diethyl malonate ≥98%, FG 105-53-3 1 each $55.9 2026-03-19 Buy
Sigma-Aldrich 8.00898 Diethyl malonate for synthesis 105-53-3 100mL $43.4 2026-03-19 Buy
Sigma-Aldrich 8.00898 Diethyl malonate for synthesis 105-53-3 500mL $63.4 2026-03-19 Buy
Sigma-Aldrich 8.00898 Diethyl malonate for synthesis 105-53-3 1L $95.7 2026-03-19 Buy
Sigma-Aldrich 8.00898 Diethyl malonate for synthesis 105-53-3 2.5L $173 2026-03-19 Buy
Product number Packaging Price Buy
W237507 1 each $55.9 Buy
8.00898 100mL $43.4 Buy
8.00898 500mL $63.4 Buy
8.00898 1L $95.7 Buy
8.00898 2.5L $173 Buy

Diethyl malonate Chemical Properties,Uses,Production

Description

As an organic compound, diethyl malonate belongs to the diethyl ester of malonic acid, which is present naturally in guava fruits, melons, grapes, pineapples, blackberries and strawberries as a colorless liquid with an apple-like odor. It is a flavor ingredient commonly found in perfumes, artificial flavorings, alcoholic beverages, various wines and spirits due to its natural pleasant odor. It is also used as an essential intermediate in the syntheses of numerous pharmaceuticals, such as barbiturates, vitamins B1 and B6, non-steroidal anti-inflammatory agents. Besides, diethyl malonate is also involved in organic synthesis of other compounds, such as alpha-aryl malonates, mono-substituted and di-substituted acetic acid. And it can react with benzaldehyde for the production of diethyl benzylidenemalonate in Knoevenagel condensation reaction.

uses

Diethyl malonate is the diethyl ester of malonic acid. It naturally occuring in grapes and strawberries, is widely used in the manufacture of pharmaceuticals, antioxidants, and dyes.
Diethyl malonate is used in organic synthesis for the preparation of alpha-aryl malonates, mono-substituted and di-substituted acetic acid, barbiturates and artificial flavorings. It is also involved in the synthesis of pharmaceuticals like chloroquine, butazolidin and barbital. It acts as intermediate in the synthesis of vitamin B1, vitamin B6, non-steroidal anti-inflammatory agents agrochemicals and perfumes. In Knoevenagel condensation reaction, it reacts with benzaldehyde to get diethyl benzylidenemalonate.

References

https://en.wikipedia.org/wiki/Diethyl_malonate
https://pubchem.ncbi.nlm.nih.gov/compound/7761#section=Safety-and-Hazards
https://www.alfa.com/zh-cn/catalog/A15468/
http://www.hmdb.ca/metabolites/HMDB29573
http://www.chemicalland21.com/industrialchem/organic/DIETHYL%20MALONATE.htm

Description

Diethyl malonate is a diester derivative of malonic acid, a dicarboxylic acid with two carboxyl groups (-COO-) separated by one methylene group (-CH2-). Diethyl malonate is formed by the replacement of the hydroxyl groups (-OH) of malonic acid with ethoxy groups (-OCH2CH3). The hydrogen atoms on the methylene carbon between the two carboxyl groups make this compound acidic. Because of its unique structure, diethyl malonate is reactive and functions as a reagent for organic synthesis and to make products such as barbiturates, pigments, and agrochemicals. Volatile esters are known to have fruity scents and are often used as fragrances and flavorings. Diethyl malonate is a volatile diester that occurs naturally in fruits such as grapes, strawberries, guava, melon, pineapple, and blackberries.

Chemical Properties

Diethyl malonate has a faint, pleasant, aromatic odor.

Occurrence

Reported found in pineapple, bilberry, Cape gooseberry, cognac, malt whiskey, apple brandy, grape brandy, port, cider, sherry and red, white, strawberry and bilberry wines.

Uses

Diethyl Malonate occurs naturally in grapes and strawberries. It is used in the preparation of barbiturates, artificial flavourings, vitamin B1, and vitamin B6 as well as in perfumes.

Uses

manufacture of barbiturates.

Uses

Diethyl malonate is used in organic synthesis for the preparation of alpha-aryl malonates, mono-substituted and di-substituted acetic acid, barbiturates and artificial flavorings. It is also involved in the synthesis of pharmaceuticals like chloroquine, butazolidin and barbital. It acts as intermediate in the synthesis of vitamin B1, vitamin B6, non-steroidal anti-inflammatory agents agrochemicals and perfumes. In Knoevenagel condensation reaction, it reacts with benzaldehyde to get diethyl benzylidenemalonate.

Definition

ChEBI: Ethyl malonate is a dicarboxylic acid.

Preparation

Reacting chloroacetic acid to cyanoacetic acid using sodium cyanide and subsequent saponification; malonic acid is finally esterified by azeotropic distillation with ethanol in benzene

Taste threshold values

Taste characteristics at 50 ppm: sweet and fruity with apple and pineapple nuances.

Synthesis Reference(s)

The Journal of Organic Chemistry, 46, p. 3151, 1981 DOI: 10.1021/jo00328a041
Tetrahedron Letters, 36, p. 3997, 1995 DOI: 10.1016/0040-4039(95)00697-B

General Description

Diethyl malonate is diethyl ester of malonic acid. Acylation of diethyl malonate using magnesium chloride and triethylamine is reported. K2CO3-catalyzed 1,4-addition reaction of diethyl malonate with various substituted 1,2-allenic ketones yields polyfunctionalized β,γ-unsaturated enones.

Safety Profile

Mildly toxic by ingestion. A skin irritant. Combustible liquid when exposed to heat or flame; can react with oxidizing materials. To fight fire, use water to blanket fire, foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

Metabolism

When the ester was fed to chicks at a level of 5% in the diet, 32% of the energy from diethyl malonate was available (Yoshida et al. 1970). Hydrolysis of diethyl malonate would produce ethanol and malonic acid, which is a relatively strong acid and acts as an inhibitor of enzymes, including succinic dehydrogenase (Fassett, 1963). Malonic acid injected into rats or rabbits is excreted largely unchanged, but also causes increased excretion of citric and a-ketoglutaric acids (Krebs, Salvin & Johnson, 1938). Some malonate may be metabolized through the tricarboxylic acid cycle, with decarboxylation to acetate followed by transformation to succinate, which has been detected in rat urine (Lee & Lifson, 1951). Diethyl malonate was hydrolysed by adipose-tissue lipase (Lynn & Perryman, 1960) and to the monoester by α-chymotrypsin (Cohen & Crossely, 1964). It was oxidized in 110 min to the extent of 34% by the homogenized mycelium of urethane-grown Streptomyces nitrifica (Schatz, Trelawny, Schatz & Mohan, 1957).

Purification Methods

If too impure (IR, NMR) the ester (250g) is heated on a steam bath for 36hours with absolute EtOH (125mL) and conc H2SO4 (75mL), then fractionally distilled under reduced pressure. Otherwise fractionally distil it under reduced pressure and collect the steady boiling middle fraction. [Beilstein 2 IV 1881.]

Toxics Screening Level

RTECS listed an acute oral study for this material, Smyth et al (1969), who reported a rat LD50 of 15 g/kg. As this is the only available toxicity data, the ITSL will be based on the LD50 of 15 g/kg and calculated as follows, ITSL=(15000 mg/kg)x(1/500 X 1/40 X 1/100 X 1/.167 X 1/.9)= 50 ugfm3 an annual average.

Diethyl malonate Preparation Products And Raw materials

Raw materials

Sodium Phosphate, Dibasic Ethanol Chloroacetic acid Sodium cyanide Ethanol 95%
Hydrochloric acid Cyanoacetic acid MALONIC ACID DISODIUM SALT Sulfuric acid Malonic acid
Sodium chloroacetate Sodium carbonate

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Preparation Products

5-Nitropyridine-2-carboxylic acid 5-CARBETHOXYURACIL Phenylbutazone 3-CARBETHOXYUMBELIFERONE 5,7-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE
2-(TRIFLUOROMETHYL)-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID Enoxacin 2-ETHOXY-MALONIC ACID DIETHYL ESTER 5-NITROBENZOFURAN-2-CARBOXYLIC ACID 3-CARBETHOXY-2-PIPERIDONE
2,4-Dihydroxypyrimidine-5-carboxylic acid 2-AMINODIETHYLMALONATE 5-CHLORO-BENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTER 2-Amino-6-hydroxypyrimidin-4(3H)-one ,97% 2-Mercapto-4,6-dimethoxypyrimidine
ETHYL 4-HYDROXY-6-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATE 4-Chloro-7-(trifluoromethyl)quinoline Diethyl butylmalonate 5,7-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE 2-Benzofurancarboxylic acid ethyl ester
ETHYL 2-(ETHYLTHIO)-4-HYDROXYPYRIMIDINE-5-CARBOXYLATE Gliclazide 4-Chloro-6-methoxy-2-(methylthio)pyrimidine ETHYL 7-METHOXYBENZOFURAN-2-CARBOXYLATE 4-CHLORO-2-METHANESULFONYL-6-METHOXY-PYRIMIDINE
Ethoxylated DIETHYL 2-(2-CYANOETHYL)MALONATE 2,4,5-Trifluorophenylacetic acid 4,6-Dichloro-2-(methylsulfonyl)pyrimidine ETHYL 4-CHLORO-6-(TRIFLUOROMETHYL)-3-QUINOLINECARBOXYLATE
2-amino-6-chloropyrimidin-4(3H)-one 4-HYDROXY-5,7-BIS-TRIFLUOROMETHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER 2-MERCAPTOPYRIMIDINE-4,6-DIOL Diethyl chloromalonate Triethyl 1,1,2-ethanetricarboxylate
4,6-Dihydroxy-2-methylpyrimidine Sulfamonomethoxine 2-Hexyldecanoic Acid CYCLOPENTYLACETIC ACID 5,7-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID

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Diethyl malonate Suppliers

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Supplier Tel Email Country ProdList Advantage
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View Lastest Price from Diethyl malonate manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
Diethyl malonate pictures 2026-04-28 Diethyl malonate
105-53-3
 US $1.00 / kg 1000kg 99 20000 Yancheng Green Chemicals Co.,Ltd
Diethyl malonate pictures 2026-04-28 Diethyl malonate
105-53-3
 US $100.00-75.00 / kg 1kg 99% 5000Ton HEBEI SHENGSUAN CHEMICAL INDUSTRY CO.,LTD
Diethyl malonate pictures 2026-04-28 Diethyl malonate
105-53-3
 US $1.00 / g 1g 99% 1000kg RongNa Biotechnology Co.,Ltd
  • Diethyl malonate pictures
  • Diethyl malonate
    105-53-3
  • US $100.00-75.00 / kg
  • 99%
  • HEBEI SHENGSUAN CHEMICAL INDUSTRY CO.,LTD

Diethyl malonate Spectrum

Diethyl malonate(105-53-3)MSDiethyl malonate(105-53-3)1HNMRDiethyl malonate(105-53-3)13CNMRDiethyl malonate(105-53-3)IR1Diethyl malonate(105-53-3)Raman

105-53-3(Diethyl malonate)Related Search:

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Malonic Acid Diethyl Ester Ethyl Malonate Diethyl malonate,Malonic acid diethyl ester Diethyl Malonate, 99+% 25GR Diethyl Malonate, 99+% 500GR Ethyl propanedioate DICARBETHOXYMETHANE DIETHYL MALONATE methanedicarboxylicacid,diethylester Propanedioicacid,diethylester Propanedioicaciddiethylester Sodium Valproate Impurity 22 DIETHYL MALONATE, 98%DIETHYL MALONATE, 98%DIETHYL MALONATE, 98%DIETHYL MALONATE, 98% Malonic Acid Diethyl Ester (DEM) Diethyl malonate(Dem) DIETHYL MALONATE SUPREME DIETHYL MALONATE >=98% DiethylMalonate,>99% DiethylMalonateC7H12O4 Diethyl Malonate-1-13C2 DIETHYL MALONATE-PERFUME GRADE ethyl methanedicarboxylate Malonsurediethylester Diethyl ester malonic acid DIETHYL MALONATE extrapure DIETHYL MALONATE extrapure AR Diethyl1,3-propanedioate Methanedicarboxylic acid, diethyl ester CARBETHOXYACETIC ESTER AKOS BBS-00004262 Malonic diethyl ester Propanedioic acid, 1,3-diethyl ester Diethyl Malonate, 99.5% Diethyl propane-1,3-dioate Diethyl Malonate, 99.5%, 99.5% Diethyl malonate ReagentPlus(R), 99% Diethyl malonate Vetec(TM) reagent grade, 98% JACS-105-53-3 DiethylMalonate> Valproic Acid Impurity 3 (Diethyl Malonate) Diethyl malonate USP/EP/BP Diethyl malonate(kosher) Diethyl malonate, GR 99%+ Diethyl Malonate AR Diethyl malonate, min 99% for synthesis 2.5LT Diethyl malonate, min 99% for synthesis 500ML Diethyl Malonate extrapure AR, 99.5% diethyl malonate malonic ester DIETHYL MALONATE AR,ACS Diethyl Malote 98% For Synthesis DEM /diethyl malonate Diethyi malonate MALONIC ACID DIETHYL ESTER MALONIC ESTER ETHYL MALONATE FEMA 2375 DEM Diethyl malonat DIETHYL PROPANEDIOATE