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Diethyl fumarate  Structure

Diethyl fumarate

Chemical Properties

Melting point 1-2 °C (lit.)
Boiling point 218-219 °C (lit.)
Density  1.052 g/mL at 25 °C (lit.)
refractive index  n20/D 1.44(lit.)
Flash point 197 °F
storage temp.  Sealed in dry,Room Temperature
solubility  3.1g/l
form  Liquid
color  Clear colorless to slightly yellow
Water Solubility  immiscible
BRN  775347
Henry's Law Constant 4.1×102 mol/(m3Pa) at 25℃, HSDB (2015)
Dielectric constant 6.5(23℃)
Stability Stable. Combustible. Incompatible with strong oxidizing agents, acids, bases, reducing agents.
InChI 1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKey IEPRKVQEAMIZSS-AATRIKPKSA-N
SMILES [H]\C(=C(\[H])C(=O)OCC)C(=O)OCC
LogP 2.200 (est)
Surface tension 31.4 mN/m at 22°
CAS DataBase Reference 623-91-6(CAS DataBase Reference)
NIST Chemistry Reference 2-Butenedioic acid (E)-, diethyl ester(623-91-6)
EPA Substance Registry System Diethyl fumarate (623-91-6)

Safety Information

Hazard Codes  Xn
Risk Statements  22
Safety Statements  23-24/25
RIDADR  NA 1993 / PGIII
WGK Germany  3
RTECS  EM5950000
TSCA  TSCA listed
HS Code  29171990
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
Hazardous Substances Data 623-91-6(Hazardous Substances Data)

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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