CAS 623-91-6 Diethyl Fumarate - Materials / Alfa Chemistry

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Diethyl Fumarate

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Catalog Number

ACM623916

Product Name

Diethyl Fumarate

Structure

CAS

623-91-6

Category

Polymers

IUPAC Name

diethyl (E)-but-2-enedioate

Molecular Weight

172.18g/mol

Molecular Formula

C8H12O4

Canonical SMILES

CCOC(=O)C=CC(=O)OCC

InChI

InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+

InChI Key

IEPRKVQEAMIZSS-AATRIKPKSA-N

Boiling Point

218.5 °C;214 °C

Melting Point

-3.65 °C;0.8 °C

Flash Point

104 °C Closed Cup

Density

1.0452 g/cu cm at 20 °C

Solubility

Insoluble in water; soluble in acetone and choloform;SLIGHTLY SOL IN WATER;In water, 1.91X10+3 mg/L at 25 °C (est)

Color/Form

White crystal or in liquid form

Complexity

164

Covalently-Bonded Unit Count

EC Number

210-819-7

Exact Mass

172.073559g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 2.20 (est)

MeSH Entry Terms

diethyl fumarate;fumaric acid, diethyl ester

Monoisotopic Mass

172.073559g/mol

NSC Number

20954

Other Experimental

Vapor pressure: 1 mm Hg at 53.2 °C;Conversion factor: 7.03 mg/cu m = 1ppm;Henry's Law constant = 2.44X10-7 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.02X10-11 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

UNII

5WBU5A3E8A

Vapor Density

5.93 (Air = 1)

Vapor Pressure

0.178 mm Hg at 25 °C (est)

XLogP3

0.9

MSDS

Download MSDS

COA