Diethyl malonate

C7H12O4CAS 105-53-3160.17 g/mol

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Ester

Properties

Molecular formula
C7H12O4
Molar mass
160.17 g/mol
Exact mass
160.0736 Da
Density
1.0446 g/mL (at 30 °C)
Melting point
−50 °C
Boiling point
200 °C
Flash point
85 °C (closed cup)
Water solubility
20 g/L (20 °C)
logP
0.50Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 2,532 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
105-53-3
SMILES
CCOC(=O)CC(=O)OCC
InChIKey
IYXGSMUGOJNHAZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • Propanedioic acid, 1,3-diethyl ester
  • Malonic acid, diethyl ester
  • Propanedioic acid, diethyl ester
  • Carbethoxyacetic ester
  • Dicarbethoxymethane
  • Diethyl propanedioate
  • Ethyl malonate
  • Methanedicarboxylic acid diethyl ester
  • Diethyl propane-1,3-dioate
  • NSC 136903
  • NSC 8864
  • Malonate diethyl ester

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 105-53-3. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Diethyl malonate

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

Similar compounds

Diethyl 1,3-acetonedicarboxylate105-50-076 % similar Diethyl succinate123-25-170 % similar Ethyl acetoacetate141-97-970 % similar 1-(1,1-Dimethylethyl) 3-ethyl propanedioate32864-38-368 % similar Ethyl propionate105-37-367 % similar Monoethyl malonate1071-46-167 % similar Ethyl 3-chloro-3-oxopropanoate36239-09-567 % similar Ethyl 3-oxopentanoate4949-44-467 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Monoethyl glutarate1070-62-8 Pimelic acid111-16-0 Dimethyl glutarate1119-40-0 2-Methoxyethyl 3-oxobutanoate22502-03-0 Dimethyl (R)-(+)-methylsuccinate22644-27-5 1,3-Dimethyl 2-ethylpropanedioate26717-67-9 Poly(glyceryl methacrylate)28474-30-8 (+-)-3-Methyladipic acid3058-01-3

Elsewhere

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