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: 2024-10-30 18:52:02

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.