Diethyl malonate CAS#105-53-3

CAS Number: 105-53-3
Chemical Formula: C7H12O4
Synonyms:

ETHYL MALONATE
Diethyi malonate
Malonic Acid Diethyl Ester Ethyl Malonate

Appearance: White Powder

MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)

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Product Details

Diethyl malonate CAS#105-53-3

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.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.

Diethyl malonate Chemical 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)
refractive index	n20/D 1.413(lit.)
FEMA	2375 \| DIETHYL MALONATE
Fp	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
Dielectric constant	7.9（21℃）
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents,
Cosmetics Ingredients Functions	PERFUMING
InChIKey	IYXGSMUGOJNHAZ-UHFFFAOYSA-N
LogP	0.96 at 20℃
CAS DataBase Reference	105-53-3(CAS DataBase Reference)
NIST Chemistry Reference	Propanedioic acid, diethyl ester(105-53-3)
EPA Substance Registry System	Diethyl malonate (105-53-3)

Safety Information

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
Hazardous Substances Data	105-53-3(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: 15720 mg/kg LD50 dermal Rabbit > 16000 mg/kg

Product Application of Diethyl malonate CAS#105-53-3

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.

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