Monoethyl itaconate is a free radical used in polymerization reactions.

Physicochemical Properties

Molecular Formula	C7H10O4
Molecular Weight	158.15
Exact Mass	158.058
CAS #	57718-07-7
PubChem CID	533740
Appearance	White to off-white solid powder
Density	1.153g/cm3
Boiling Point	153ºC / 12mmHg
Melting Point	56ºC
Flash Point	122.5ºC
Index of Refraction	1.457
LogP	0.58
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	11
Complexity	183
Defined Atom Stereocenter Count	0
InChi Key	RTTAGBVNSDJDTE-UHFFFAOYSA-N
InChi Code	InChI=1S/C7H10O4/c1-3-11-6(8)4-5(2)7(9)10/h2-4H2,1H3,(H,9,10)
Chemical Name	4-ethoxy-2-methylidene-4-oxobutanoic acid
Synonyms	57718-07-7; Monoethyl Itaconate; beta-Monoethyl itaconate; 4-ethoxy-2-methylene-4-oxobutanoic acid; 4-ethoxy-2-methylidene-4-oxobutanoic acid; Itaconic acid ethyl ester; Butanedioic acid, methylene-, 4-ethyl ester; MFCD00059138;
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Swelling properties of copolymeric hydrogels of poly(ethylene glycol) monomethacrylate and monoesters of itaconic acid for use in drug delivery. J Biomed Mater Res B Appl Biomater. 2009 Nov;91(2):716-26.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (632.31 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (15.81 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	6.3231 mL	31.6156 mL	63.2311 mL
	5 mM	1.2646 mL	6.3231 mL	12.6462 mL
	10 mM	0.6323 mL	3.1616 mL	6.3231 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.