Dimethyl itaconate supplier

Name
Dimethyl itaconate
EINECS 210-519-6
CAS No. 617-52-7
Article Data31
CAS DataBase
Density 1.084 g/cm³
Solubility slightly soluble in water
Melting Point 37-41 °C(lit.)
Formula C₇H₁₀O₄
Boiling Point 207.999 °C at 760 mmHg
Molecular Weight 158.154
Flash Point 89.094 °C
Transport Information
Appearance white crystalline low melting mass or liquid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butanedioicacid, methylene-, dimethyl ester (9CI);Itaconic acid dimethyl ester (6CI);Succinic acid, methylene-, dimethyl ester (8CI);Dimethyl 2-methylenesuccinate;Dimethyl methylenebutanedioate;Methyl 4-methoxy-2-methylene-4-oxobutanoate;Methylenesuccinic acid dimethyl ester;NSC 9385;
PSA 52.60000
LogP 0.27870

Dimethyl itaconate Specification

This chemical is called Dimethyl itaconate, and its CAS registry number is 617-52-7. With the molecular formula of C₇H₁₀O₄, its product categories are C6 to C7; Esters; C7 to C8; Carbonyl Compounds; Ketones. In addition, this chemical should be sealed in the cool and dry place. It's used as thickener for lubricants. If you use this chemical, please avoid contacting with skin and eyes.

Other characteristics of the Dimethyl itaconate can be summarised as followings: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.621; (4)ACD/LogD (pH 7.4): 0.621; (5)ACD/BCF (pH 5.5): 1.747; (6)ACD/BCF (pH 7.4): 1.747; (7)ACD/KOC (pH 5.5): 51.89; (8)ACD/KOC (pH 7.4): 51.89; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 37.597 cm³; (15)Molar Volume: 145.942 cm³; (16)Polarizability: 14.905×10^-24cm³; (17)Surface Tension: 31.337 dyne/cm; (18)Density: 1.084 g/cm³; (19)Flash Point: 89.094 °C; (20)Enthalpy of Vaporization: 44.426 kJ/mol; (21)Boiling Point: 207.999 °C at 760 mmHg; (22)Vapour Pressure: 0.219 mmHg at 25°C.

Uses of this chemical: The Dimethyl itaconate could react with ethylamine, and obtain the 1-ethyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester. This reaction needs the reagent of methanol.

You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h1,4H2,2-3H3
2.Smiles: O=C(OC)CC(=C)C(=O)OC

Product Name

Dimethyl itaconate

Dimethyl itaconate Specification

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