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Substance Name: Dimethyl itaconate
RN: 617-52-7
UNII: 11JIB0YI93
InChIKey: ZWWQRMFIZFPUAA-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C7-H10-O4

Molecular Weight

  • 158.152
 
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Names and Synonyms

Name of Substance

  • Dimethyl itaconate

Synonyms

  • AI3-16883
  • CCRIS 7232
  • EINECS 210-519-6
  • UNII-11JIB0YI93

Systematic Names

  • Butanedioic acid, 2-methylene-, 1,4-dimethyl ester
  • Butanedioic acid, methylene-, dimethyl ester
  • Dimethyl itaconate
  • Dimethylitaconate

Registry Numbers

CAS Registry Number

  • 617-52-7

FDA UNII

  • 11JIB0YI93

System Generated Number

  • 0000617527

Structure Descriptors

InChI

1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h1,4H2,2-3H3

InChIKey

ZWWQRMFIZFPUAA-UHFFFAOYSA-N

Smiles

O=C(OC)CC(=C)C(=O)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 38 deg C   EXP
Boiling Point 208 deg C   EXP
log P (octanol-water) 0.820 (none)   EST
Atmospheric OH Rate Constant 1.87E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.