| Identification | More | [Name]
Diethyl fumarate | [CAS]
623-91-6 | [Synonyms]
DIETHYL FUMARATE
DIETHYL TRANS-BUTENEDIOATE
ETHYL FUMARATE
FUMARIC ACID DIETHYL ESTER
RARECHEM AL BI 1505
2-Butenedioic acid, diethyl ester, (E)-
2-Butenedioicacid(E)-,diethylester
Anti-Psoriaticum
Diethyl (2E)-2-butenedioate
Diethyl ester of (E)-2-Butenedioic acid
Diethylester kyseliny fumarove
diethylester,(e)-2-butenedioicaci
diethylesterkyselinyfumarove
Diethyltrans-butenedicarboxylate
Fumarsαurediαthylester
trans-2-butenedioicaciddiethylester
trans-2-Butenedioic acid diethyl ester~Fumaric acid diethyl ester
Diethylfumarate,98%
2-Butenedioic acid (2E)-, diethyl ester
Diethyl fumalate | [EINECS(EC#)]
210-819-7 | [Molecular Formula]
C8H12O4 | [MDL Number]
MFCD00064455 | [Molecular Weight]
172.18 | [MOL File]
623-91-6.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [Melting point ]
1-2 °C (lit.) | [Boiling point ]
218-219 °C (lit.) | [density ]
1.052 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.44(lit.)
| [Fp ]
197 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
3.1g/l | [form ]
Liquid | [color ]
Clear colorless to slightly yellow | [Stability:]
Stable. Combustible. Incompatible with strong oxidizing agents, acids, bases, reducing agents. | [Water Solubility ]
immiscible | [BRN ]
775347 | [Henry's Law Constant]
4.1×102 mol/(m3Pa) at 25℃, HSDB (2015) | [Dielectric constant]
6.5（23℃） | [InChI]
1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+ | [InChIKey]
IEPRKVQEAMIZSS-AATRIKPKSA-N | [SMILES]
[H]\C(=C(\[H])C(=O)OCC)C(=O)OCC | [LogP]
2.200 (est) | [Surface tension]
31.4 mN/m at 22° | [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]
623-91-6(EPA Substance) |
| Hazard Information | Back Directory | [Chemical Properties]
colourless liquid | [Uses]
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. | [Uses]
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. | [Uses]
It is used as a pesticide or comonomer
for the production of polystyrene. | [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.] |
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