CAS 141-05-9 Diethyl maleate - Materials / Alfa Chemistry

NAVIGATION

Diethyl maleate

PRICE INQUIRY

Catalog Number

ACM141059-2

CAS Number

141-05-9

Product Name

Diethyl maleate

Category

Plastic Additives; Polymers; Plasticizers

Synonyms

Maleic acid diethyl ester

Description

Liquid;Liquid

IUPAC Name

Diethyl (Z)-but-2-enedioate

Molecular Weight

172.18

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-WAYWQWQTSA-N

Boiling Point

225 °C

Melting Point

-10 °C

Flash Point

200 °F

Purity

90%+

Density

1.064 g/mL

Solubility

0.08 M

Application

Diethyl maleate serves a crucial role in the synthesis of various organic compounds, particularly as a reagent in the development of polyaspartic acid ester-based polyurea coatings. Its chemical properties make it a valuable dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis. Beyond its involvement in organic chemistry, diethyl maleate is recognized for its ability to deplete glutathione, which has implications in modulating pathways associated with cancer and cell growth. Although it has a distinct fruity odor, it is not used in fragrances due to regulatory prohibitions concerning sensitization risks.

Complexity

164

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

205-451-9;615-281-0

Exact Mass

172.07355886

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isomeric SMILES

CCOC(=O)/C=C\C(=O)OCC

Isotope Atom Count

MeSH Entry Terms

diethyl maleate;diethyl maleic acid diester;diethylmaleate;ethyl hydrogen maleate;ethyl maleate;maleic acid diethyl ester;maleic acid, ethyl ester;monoethyl maleate

Monoisotopic Mass

172.07355886

NSC Number

8394

Rotatable Bond Count

Topological Polar Surface Area

52.6 Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

UNII

G81WQB56OL

Vapor Pressure