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Diethyl malonate CAS#105-53-3
CAS Number: 105-53-3
Chemical Formula: C7H12O4
Synonyms:
Diethyl malonate,Malonic acid diethyl ester
MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)
Appearance: Colorless Liquid
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 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 | n |
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, |
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℃ |
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 |
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 |
Product Application Of Diethyl malonate CAS#105-53-3
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.
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