Dimethyl fumarate CAS#624-49-7
Dimethyl fumarate is an enoate ester, formed by the formal condensation of both of fumaric acid's carboxyl groups with methanol. It is used to treat adult patients with relapsing forms of multiple sclerosis and also serves as an immunomodulator and an antipsoriatic agent.
Dimethyl fumarate can be classified as an enoate ester, a methyl ester, and a diester. Structurally, it is functionally related to methanol and fumaric acid.
Chemical Properties
| Melting point | 102-106 °C (lit.) |
| Boiling point | 192-193 °C (lit.) |
| density | 1,37 g/cm3 |
| vapor pressure | 5 hPa (25 °C) |
| refractive index | 1.4062 (estimate) |
| Fp | 192-193°C |
| storage temp. | Store below +30°C. |
| solubility | 1.6g/l |
| form | Liquid |
| color | Clear colorless to faintly yellow |
| PH | 4.0-6.0 (10g/l, H2O, 20℃)suspension |
| Water Solubility | Soluble in water (1.6 mg/ml at 20°C), methanol (30-36 mg/ml), ethanol (10 mg/ml at 25°C), DMSO (29 mg/ml at 25°C), and DMF (~12 mg/ml). |
| Merck | 144287 |
| BRN | 774590 |
| Stability: | Stable. Incompatible with acids, bases, oxidizing agents, reducing agents. |
| InChI | 1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+ |
| InChIKey | LDCRTTXIJACKKU-ONEGZZNKSA-N |
| SMILES | [H]\C(=C(\[H])C(=O)OC)C(=O)OC |
| CAS DataBase Reference | 624-49-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Butenedioic acid (E)-, dimethyl ester(624-49-7) |
| EPA Substance Registry System | 2-Butenedioic acid (2E)-, 1,4-dimethyl ester (624-49-7) |
| Hazard Codes | Xn |
| Risk Statements | 21-38-41-43-36/37/38-36/38 |
| Safety Statements | 26-36/37/39-36/37 |
| RIDADR | UN 3077 9 / PGIII |
| WGK Germany | 1 |
| RTECS | EM6125000 |
| TSCA | TSCA listed |
| HazardClass | 9 |
| HS Code | 29171990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal |
| Aquatic Chronic 2 | |
| Skin Irrit. 2 | |
| Skin Sens. 1 | |
| STOT SE 3 | |
| Hazardous Substances Data | 624-49-7(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 2240 mg/kg LD50 dermal Rabbit 1250 mg/kg |
Product Application of Dimethyl Fumarate CAS#624-49-7
Dimethyl fumarate can serve as an immunomodulator and is also used in cycloaddition reactions involving ylides, benzenes, and amino acids.
Additionally, dimethyl fumarate can be used as a preservative for food grains, tobacco, leather, and other materials.
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