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105-53-3

105-53-3 Structure

105-53-3 Structure
IdentificationMore
[Name]

Diethyl malonate
[CAS]

105-53-3
[Synonyms]

AKOS BBS-00004262
CARBETHOXYACETIC ESTER
DEM
DICARBETHOXYMETHANE
DIETHYL MALONATE
DIETHYL PROPANEDIOATE
ETHYL MALONATE
Ethyl propanedioate
FEMA 2375
MALONIC ACID DIETHYL ESTER
MALONIC ESTER
METHYLMALONIC ACID DIETHYL ESTER
methyl-propanedioic acid diethyl ester
Diethyl1,3-propanedioate
Methanedicarboxylic acid, diethyl ester
methanedicarboxylicacid,diethylester
Propanedioicacid,diethylester
Propanedioicaciddiethylester
Diethyl malonat
Malonic Acid Diethyl Ester (DEM)
[EINECS(EC#)]

203-305-9
[Molecular Formula]

C7H12O4
[MDL Number]

MFCD00009195
[Molecular Weight]

160.17
[MOL File]

105-53-3.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[mp ]

-50 °C
[bp ]

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
[refractive index ]

n20/D 1.413(lit.)
[Fp ]

212 °F
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents,
[Merck ]

14,3823
[BRN ]

774687
[CAS DataBase Reference]

105-53-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Propanedioic acid, diethyl ester(105-53-3)
[EPA Substance Registry System]

105-53-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

1
[RTECS ]

OO0700000
[Hazard Note ]

Irritant
[HS Code ]

29171910
[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.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Etanol-->Hydrochloric acid-->Sulfuric acid -->Sodium carbonate-->Sodium cyanide-->Malonic acid-->Chloroacetic acid-->Chloroacetic acid sodium salt-->Cyanoacetic acid-->Disodium hydrogenorthophosphate-->MALONIC ACID DISODIUM SALT
[Preparation Products]

2-HEXYLDECANOIC ACID-->CYCLOPENTYLACETIC ACID-->5-CHLORO-BENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTER-->Enoxacin-->Phenylbutazone-->4,6-Dichloro-2-(methylsulfonyl)pyrimidine-->2-BENZOFURANCARBOXYLIC ACID, ETHYL ESTER-->5-NITROBENZOFURAN-2-CARBOXYLIC ACID-->4-CHLORO-2-METHANESULFONYL-6-METHOXY-PYRIMIDINE-->Diethyl chloromalonate-->ETHYL 7-METHOXYBENZOFURAN-2-CARBOXYLATE-->5,7-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE-->2-Mercapto-4,6-dimethoxypyrimidine-->4-Chloro-6-methoxy-2-(methylthio)pyrimidine ,98%-->5,7-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE-->2-(TRIFLUOROMETHYL)-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID-->5-Nitropyridine-2-carboxylic acid-->2-ETHOXY-MALONIC ACID DIETHYL ESTER-->2,4-Dihydroxypyrimidine-5-carboxylic acid-->4,6-Dihydroxy-2-methylpyrimidine-->5,7-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID-->4-Chloro-7-(trifluoromethyl)quinoline-->ETHYL 4-CHLORO-6-(TRIFLUOROMETHYL)-3-QUINOLINECARBOXYLATE-->4-HYDROXY-5,7-BIS-TRIFLUOROMETHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER-->TRIETHYL 1,1,2-ETHANETRICARBOXYLATE-->ETHYL 2-(ETHYLTHIO)-4-HYDROXYPYRIMIDINE-5-CARBOXYLATE-->2,4,5-Trifluorophenylacetic acid-->Gliclazide-->2-MERCAPTOPYRIMIDINE-4,6-DIOL-->ETHYL 4-HYDROXY-6-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATE-->Diethyl butylmalonate-->2-AMINODIETHYLMALONATE-->2-amino-6-chloropyrimidin-4(3H)-one-->3-CARBETHOXYUMBELIFERONE-->DIETHYL 2-(2-CYANOETHYL)MALONATE-->5-CARBETHOXYURACIL-->3-CARBETHOXY-2-PIPERIDONE-->2-Amino-6-hydroxypyrimidin-4(3H)-one ,97%-->Sulfamonomethoxine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethyl propanedioate(105-53-3).msds
Questions And AnswerBack Directory
[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.
[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
Spectrum DetailBack Directory
[Spectrum Detail]

Diethyl malonate(105-53-3) IR1
Diethyl malonate(105-53-3) 13C NMR
Diethyl malonate(105-53-3) Raman
Diethyl malonate(105-53-3) MS
Diethyl malonate(105-53-3) 1H NMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Diethyl malonate, 99+%(105-53-3)
[Alfa Aesar]

Diethyl malonate, 99%(105-53-3)
[Sigma Aldrich]

105-53-3(sigmaaldrich)
[TCI AMERICA]

Diethyl Malonate,>99.0%(GC)(105-53-3)
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