Dimethyl itaconate (CAS: 617-52-7) - Chemical Structure and Molecular Formula
Dimethyl itaconate (CAS: 617-52-7) - Chemical Structure Thumbnail

Dimethyl itaconate

Catalog No:   FT-0625083

CAS No:   617-52-7

  • Chemical Name:  Dimethyl itaconate
  • Molecular Formula:  C7H10O4
  • Molecular Weight:  158.15 g/mol
  • InChI Key:  ZWWQRMFIZFPUAA-UHFFFAOYSA-N
  • InChI:  InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h1,4H2,2-3H3
Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Melting_Point: 37-41 °C(lit.)
CAS: 617-52-7
MF: C7H10O4
Flash_Point: 99.4±0.0 °C
Product_Name: Dimethyl itaconate
Density: 1.1±0.1 g/cm3
FW: 158.152
Bolling_Point: 208.0±0.0 °C at 760 mmHg
Refractive_Index: 1.429
Vapor_Pressure: 0.2±0.4 mmHg at 25°C
Flash_Point: 99.4±0.0 °C
LogP: 1.36
Bolling_Point: 208.0±0.0 °C at 760 mmHg
Water_Solubility: slightly soluble
PSA: 52.60000
Molecular_Structure: ['五分子性质数据 ', '1 . Molar refractive index 3759 ', '2 . Molar volume 1459 ', '3 . Parachor （902K）3452 ', '4 . Surface tension 313 ', '5 . Polarizability 1490']
Computational_Chemistry: ['1. XlogP :05 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :183 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point: 37-41 °C(lit.)
MF: C7H10O4
Exact_Mass: 158.057907
FW: 158.152
Density: 1.1±0.1 g/cm3
More_Info: ['一物性数据 ', '1 . Melting point（ºC）38ºC ', '2 . Boiling point（ºC,Atmospheric pressure）208°C01mm Hg(lit) ', '3 . Density1124g/mLat 25°C(lit ', '4 . Flash point（ºC）213°F ', '5 常温. Refractive index（n20）14457 ', '6 相对. Density（20℃，4℃）1124118']
RIDADR: NONH for all modes of transport
Safety_Statements: S24/25
HS_Code: 2942000000
WGK_Germany: 3
Personal_Protective_Equipment: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

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