Diethyl ethoxymethylenemalonate CAS#87-13-8
CAS Number: 87-13-8
Chemical Formula:C10H16O5
Synonyms:
1,1-DICARBETHOXY-2-ETHOXYETHYLENE
2,2-DICARBETHOXYVINYL ETHYL ETHER
AKOS BBS-00004230
MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)
Appearance: Colorless Liquid
Diethyl ethoxymethylenemalonate CAS#87-13-8
Moderately toxic by ingestion. A skin irritant. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. |
Diethyl ethoxymethylenemalonate Chemical Properties |
Melting point | -33°C |
Boiling point | 279-283 °C(lit.) |
density | 1.080 g/mL at 20 °C(lit.) |
vapor pressure | <0.1 hPa |
refractive index | n |
Fp | 311 °F |
storage temp. | Store below +30°C. |
solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) |
form | Liquid |
color | Clear colorless to light yellow |
Water Solubility | insoluble |
BRN | 880058 |
InChI | 1S/C10H16O5/c1-4-13-7-8(9(11)14-5-2)10(12)15-6-3/h7H,4-6H2,1-3H3 |
InChIKey | LTMHNWPUDSTBKD-UHFFFAOYSA-N |
SMILES | CCO\C=C(\C(=O)OCC)C(=O)OCC |
LogP | 1.5-2.1 at pH7 |
CAS DataBase Reference | 87-13-8(CAS DataBase Reference) |
NIST Chemistry Reference | Propanedioic acid, (ethoxymethylene)-, diethyl ester(87-13-8) |
EPA Substance Registry System | Propanedioic acid, (ethoxymethylene)-, diethyl ester (87-13-8) |
Safety Information |
Hazard Codes | Xn |
Risk Statements | 22-36/37/38-42/43 |
Safety Statements | 26-36/37/39-27-24/25 |
WGK Germany | 1 |
RTECS | OO1100000 |
Autoignition Temperature | 215 °C |
TSCA | TSCA listed |
HS Code | 29189090 |
Storage Class | 10 - Combustible liquids |
Hazard Classifications | Acute Tox. 4 Oral |
Toxicity | LD50 orally in Rabbit: 925 mg/kg LD50 dermal Rat > 2000 mg/kg |
Product Application Of Diethyl ethoxymethylenemalonate CAS#87-13-8
Diethyl ethoxymethylenemalonate is used for synthesis of pyrido[3,2-e]pyrimido[1,2-c]pyrimidines. Initially, it was used to monitor lysine decarboxylase activity. It is useful in the determination of amino acids by precolumn derivatization by using reversed-phase high-performance liquid chromatography (HPLC). It plays an important role in the Gould-Jacobs reaction to prepare quinolines. For example, anile reacts with this reagent to give 4-hydroxyquinoline. It acts as an intermediate in the production of flumequine, which is a fluoroquinolone antibiotic.
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