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| CAS No.: | 617-52-7 |
|---|---|
| Name: | Dimethyl itaconate |
| Molecular Structure: | |
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| Formula: | C7H10O4 |
| Molecular Weight: | 158.154 |
| 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; |
| EINECS: | 210-519-6 |
| Density: | 1.084 g/cm3 |
| Melting Point: | 37-41 °C(lit.) |
| Boiling Point: | 207.999 °C at 760 mmHg |
| Flash Point: | 89.094 °C |
| Solubility: | slightly soluble in water |
| Appearance: | white crystalline low melting mass or liquid |
| Safety: | 24/25 |
| PSA: | 52.60000 |
| LogP: | 0.27870 |
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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.
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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