623-91-6

Name Diethyl fumarate
CAS 623-91-6
EINECS(EC#) 210-819-7
Molecular Formula C8H12O4
MDL Number MFCD00064455
Molecular Weight 172.18
MOL File 623-91-6.mol
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Chemical Properties

Appearance colourless liquid
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.)
Fp  197 °F
storage temp.  Sealed in dry,Room Temperature
solubility  3.1g/l
form  Liquid
color  Clear colorless to slightly yellow
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, acids, bases, reducing agents.
Water Solubility  immiscible
BRN  775347
Henry's Law Constant 4.1×102 mol/(m3Pa) at 25℃, HSDB (2015)
Dielectric constant 6.5（23℃）
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 623-91-6(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H227-H302
Precautionary statements  P210e-P264-P280a-P301+P312a-P403+P235-P501a
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
RIDADR  NA 1993 / PGIII
WGK Germany  3
RTECS  EM5950000
TSCA  Yes
HS Code  29171990
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
Hazardous Substances Data 623-91-6(Hazardous Substances Data)

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