Diethyl maleate

C8H12O4CAS 141-05-9172.18 g/mol

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AlkeneEster

Properties

Molecular formula
C8H12O4
Molar mass
172.18 g/mol
Exact mass
172.0736 Da
Density
1.069 g/mL (at 20 °C)
Melting point
−8.8 °C
Boiling point
223 °C
logP
0.67Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 281 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
141-05-9
SMILES
CCOC(=O)/C=CC(=O)OCC
InChIKey
IEPRKVQEAMIZSS-WAYWQWQTSA-N
InChI
InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names
  • 2-Butenedioic acid (2Z)-, 1,4-diethyl ester
  • Maleic acid, diethyl ester
  • 2-Butenedioic acid (Z)-, diethyl ester
  • 2-Butenedioic acid (2Z)-, diethyl ester
  • Ethyl maleate
  • Diethyl (Z)-2-butenedioate
  • Staflex DEM
  • (2Z)-2-Butenedioic acid diethyl ester
  • Maleinic acid diethyl ester
  • (Z)-2-Butenedioic acid diethyl ester

Work with Diethyl maleate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Diethyl fumarate623-91-6Defined stereoisomer

Similar compounds

Ethyl trans-crotonate623-70-177 % similar Ethyl 3-ethoxy-2-propenoate1001-26-974 % similar Ethyl (2E)-3-ethoxy-2-propenoate5941-55-974 % similar Monoethyl fumarate2459-05-472 % similar Ethyl sorbate2396-84-168 % similar Ethyl (2E)-4-oxo-2-butenoate2960-66-968 % similar Ethyl 4-hydroxycrotonate10080-68-965 % similar Ethyl (2E)-3-(dimethylamino)-2-propenoate1117-37-965 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Cyclohexanedicarboxylic acid1076-97-7 Ethyl 2,4-dioxohexanoate13246-52-1 1,2-Cyclohexanedicarboxylic acid1687-30-5 cis-1,3-Cyclohexanedicarboxylic acid2305-31-9 (±)-trans-1,2-Cyclohexanedicarboxylic acid2305-32-0 cis-1,4-Diacetoxy-2-butene25260-60-0 (3aR,4S,5R,6aS)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one32233-40-2 Diethyl methylidenemalonate3377-20-6

Elsewhere

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