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Substance Name: Ethyl fumarate
RN: 2459-05-4
UNII: Y3W849NG2N
InChIKey: XLYMOEINVGRTEX-ONEGZZNKSA-N

Classification Code

  • Dermatologic Agents

Molecular Formula

  • C6-H8-O4

Molecular Weight

  • 144.125
 
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Names and Synonyms

Name of Substance

  • Ethyl fumarate

Synonyms

  • EINECS 219-544-7
  • Ethyl hydrogen fumarate
  • Fumaric acid, monoethyl ester
  • Monoethyl fumarate
  • Monoethyl trans-2-butenedioate
  • NSC 524101
  • UNII-Y3W849NG2N

Systematic Names

  • 2-Butenedioic acid (E)-, monoethyl ester (9CI)
  • Ethyl fumarate
  • Fumaric acid, ethyl ester

Registry Numbers

CAS Registry Number

  • 2459-05-4

FDA UNII

  • Y3W849NG2N

Related Registry Numbers

  • 55141-86-1 (hydrochloride salt)
  • 62008-21-3 (zinc salt)
  • 62008-22-4 (calcium salt)
  • 76260-93-0 (lithium salt)

System Generated Number

  • 0002459054

Structure Descriptors

InChI

1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+

InChIKey

XLYMOEINVGRTEX-ONEGZZNKSA-N

Smiles

C(\C=C\C(=O)OCC)(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 70 deg C   EXP
log P (octanol-water) 1.420 (none)   EST
Atmospheric OH Rate Constant 9.09E-12 cm3/molecule-sec 25 EST

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