Dimethyl itaconate
- CAS NO.：617-52-7
- Empirical Formula: C7H10O4
- Molecular Weight: 158.15
- MDL number: MFCD00008446
- EINECS: 210-519-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:18:58
What is Dimethyl itaconate?
Chemical properties
white crystalline low melting mass or liquid
The Uses of Dimethyl itaconate
Dimethyl Itaconate is a chemical reagent used in the synthesis of functionalized 2-isoxazolines used in fragment-based drug discovery.
The Uses of Dimethyl itaconate
Dimethyl itaconate may be used in functionalization of isotactic poly(propylene). It was used in crosslinking of polyesters: poly(isosorbide itaconate)and poly(isosorbide itaconate-co-succinate).
The Uses of Dimethyl itaconate
Dimethyl itaconate can be used for the rhodium catalyzed asymmetric hydrogenation of (S)-dimethyl-2-methylsuccinate and (R)-methyl succinic acid dimethyl ester.
General Description
Dimethyl itaconate undergoes enantioselective Rh(I)-catalyzed hydrogenation which can be enhanced by appropriate choice of substituents on aromatic ring of (1,2-diarylphosphinoxy)cyclohexane.
Flammability and Explosibility
Non flammable
Purification Methods
Crystallise the ester from MeOH by cooling to -78o. [Beilstein 2 IV 2229.]
Properties of Dimethyl itaconate
| Melting point: | 37-41 °C (lit.) |
| Boiling point: | 208 °C (lit.) |
| Density | 1.124 g/mL at 25 °C (lit.) |
| vapor pressure | 4.05Pa at 20℃ |
| refractive index | 1.4457 (estimate) |
| Flash point: | 213 °F |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| form | Crystalline Low Melting Mass or Liquid |
| color | White |
| Specific Gravity | 1.124 |
| Water Solubility | slightly soluble |
| BRN | 386674 |
| CAS DataBase Reference | 617-52-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Butanedioic acid, methylene-, dimethyl ester(617-52-7) |
| EPA Substance Registry System | Butanedioic acid, 2-methylene-, 1,4-dimethyl ester (617-52-7) |
Safety information for Dimethyl itaconate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Dimethyl itaconate
| InChIKey | ZWWQRMFIZFPUAA-UHFFFAOYSA-N |
New Products
Levothyroxine Impurity-F Montelukast EP Impurity-D/Montelukast USP Related Compound C Atorvastatin FXA Impurity/Atorvastatin Cyclic 6-Hydroxy Impurity Sodium Salt Isosulfan blue Keto N-Oxide Impurity Ivermectin Impurity F N-Nitroso des Methyl Tramadol/N-Nitroso-N-Desmethyl-Tramadol DL-beta-(3-Bromophenyl)alanine Tetrabutylammonium perchlorate N,O-Dimethylhydroxylamine hydrochloride (RS)-beta-Amino-beta-(4-bromophenyl)propionic acid 2-Amino-5-bromo-4-(trifluoromethyl)pyridine（RM for Indian lab) N,N CARBONYL DIIMIDAZOLE (R)-BoroLeu-(+)-Pinanediol-CF3COOH 1,4-bis(methylsulfonyl)butane 4-(5-amino-1-methyl-1h-benzoimidazol-2-yl)-butyric acid isopropyl ester. 5-Methyl-1,3-benzenediacetonitrile 4-Fluorothiophenol 1-methyl amino-2,4-dinitro benzene CSA (DL-10-Camphorsulfonic Acid) 2-Hydroxy-4-methylnicotinic acid 3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine (2S)-1-((2S,3S)-3-(2-methylbutyl)-4-oxooxetan-2-yl)pentadecan-2-yl formylleucinate 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethane-1-sulfonyl chloride S-(1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl) ethanethioateRelated products of tetrahydrofuran
You may like
-
Dimethyl itaconate CAS 617-52-7View Details
617-52-7 -
Dimethyl itaconate 98% CAS 617-52-7View Details
617-52-7 -
Dimethyl Itaconate (stabilized with HQ) CAS 617-52-7View Details
617-52-7 -
Dimethyl itaconate 98% (GC) CAS 617-52-7View Details
617-52-7 -
Dimethyl itaconate CAS 617-52-7View Details
617-52-7 -
Dimethyl Itaconate PowderView Details
617-52-7 -
Dimethyl Itaconate CAS 617-52-7View Details
617-52-7 -
1428243-26-8 98+View Details
1428243-26-8
Statement: All products displayed on this website are only used for non medical purposes such as industrial applications or scientific research, and cannot be used for clinical diagnosis or treatment of humans or animals. They are not medicinal or edible.