Diethyl fumarate
- CAS NO.：623-91-6
- Empirical Formula: C8H12O4
- Molecular Weight: 172.18
- MDL number: MFCD00064455
- EINECS: 210-819-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:08:57
What is Diethyl fumarate ?
Chemical properties
colourless liquid
The Uses of Diethyl fumarate
Diethyl fumarate is unsaturated polyester resins are used in applications, such as reinforced glass fiber for boats, piping, bathtubs, roof panels, etc., and as protective coatings, finishes, and lacquers.
The Uses of Diethyl fumarate
It is used as a pesticide or comonomer for the production of polystyrene.
The Uses of Diethyl fumarate
Diethyl Fumarate is a reagent in the preparation of chiral hydroisoindolines via Diels-Alder cycloaddition which are potent, brain-penetrant, human neurokinin-1 receptor antagonists.
Definition
ChEBI: A dieter obtained by the formal condensation of fumaric acid with ethanol.
Production Methods
Diethyl fumarate is manufactured via esterification of ethanol with fumaric acid.
Synthesis Reference(s)
The Journal of Organic Chemistry, 52, p. 323, 1987 DOI: 10.1021/jo00378a045
Tetrahedron Letters, 28, p. 6649, 1987 DOI: 10.1016/S0040-4039(00)96936-3
Purification Methods
Wash the fumarate with aqueous 5% Na2CO3, then with saturated CaCl2 solution, dry with CaCl2 and distil it. [Beilstein 2 IV 2207.]
Properties of Diethyl fumarate
| Melting point: | 1-2 °C (lit.) |
| Boiling point: | 218-219 °C (lit.) |
| Density | 1.052 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 197 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 3.1g/l |
| form | Liquid |
| color | Clear colorless to slightly yellow |
| Water Solubility | immiscible |
| BRN | 775347 |
| Dielectric constant | 6.5（23℃） |
| Stability: | Stable. Combustible. Incompatible with strong oxidizing agents, acids, bases, reducing agents. |
| CAS DataBase Reference | 623-91-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Butenedioic acid (E)-, diethyl ester(623-91-6) |
| EPA Substance Registry System | Diethyl fumarate (623-91-6) |
Safety information for Diethyl fumarate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P403+P235:Store in a well-ventilated place. Keep cool. |
Computed Descriptors for Diethyl fumarate
| InChIKey | IEPRKVQEAMIZSS-AATRIKPKSA-N |
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