Diethyl methylmalonate

C8H14O4CAS 609-08-5174.20 g/mol

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Ester

Properties

Molecular formula
C8H14O4
Molar mass
174.20 g/mol
Exact mass
174.0892 Da
Density
1.019 g/mL (at 20 °C)
Boiling point
201 °C
logP
0.75Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
609-08-5
SMILES
CCOC(=O)C(C)C(=O)OCC
InChIKey
UPQZOUHVTJNGFK-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3

Weigh it out

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

Names and synonyms

10 names
  • Propanedioic acid, 2-methyl-, 1,3-diethyl ester
  • Methylmalonic acid diethyl ester
  • Diethyl 2-methylmalonate
  • Diethyl α-methylmalonate
  • 2-Methylmalonic acid diethyl ester
  • NSC 8700
  • Diethyl methylpropanedioate
  • 1,3-Diethyl 2-methylpropanedioate
  • Malonic acid, methyl-, diethyl ester
  • Propanedioic acid, methyl-, diethyl ester

Reactions

Work with Diethyl methylmalonate

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

Ethyl 2-methylacetoacetate609-14-373 % similar 1,4-Diethyl 2-methyl-3-oxobutanedioate759-65-968 % similar Ethyl isobutyrate97-62-167 % similar Ethyl 2-methyl-4,4,4-trifluoroacetoacetate344-00-366 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-365 % similar 1,3-Diethyl 2-(1-methylethyl)propanedioate759-36-462 % similar 1,2-Diethyl (1R,2R)-1,2-cyclopropanedicarboxylate3999-55-160 % similar Ethyl cyclopropanecarboxylate4606-07-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Diacetoxybutane1114-92-7 1,3-Butylene glycol diacetate1117-31-3 (E)-Ethyl 4,4-dimethoxybut-2-enoate114736-25-3 Diethyl succinate123-25-1 Mono-tert-butyl succinate15026-17-2 1,4-Bis(2-hydroxyethoxy)-2-butyne1606-85-5 Dimethyl 3-methylglutarate19013-37-7 Glycol diglycidyl ether2224-15-9

Elsewhere

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