1,1,1-Triethyl methanetricarboxylate

C10H16O6CAS 6279-86-3232.23 g/mol

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Ester

Properties

Molecular formula
C10H16O6
Molar mass
232.23 g/mol
Exact mass
232.0947 Da
Density
1.104 g/mL (at 20 °C)
Melting point
29 °C
Boiling point
253 °C
logP
0.29Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
6279-86-3
SMILES
CCOC(=O)C(C(=O)OCC)C(=O)OCC
InChIKey
AGZPNUZBDCYTBB-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7H,4-6H2,1-3H3

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Names and synonyms

12 names
  • Methanetricarboxylic acid, 1,1,1-triethyl ester
  • Methanetricarboxylic acid, triethyl ester
  • Tricarbethoxymethane
  • Triethyl methanetricarboxylate
  • Tris(ethoxycarbonyl)methane
  • Tri(ethoxycarbonyl)methane
  • Tricarboethoxymethane
  • Diethyl (carboethoxy)malonate
  • NSC 11006
  • Diethyl (ethoxycarbonyl)malonate
  • Diethyl 2-ethoxycarbonylmalonate
  • 2-Ethoxycarbonyl-malonic acid diethyl ester

Reactions

Work with 1,1,1-Triethyl methanetricarboxylate

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 acetylmalonate570-08-171 % similar Ethyl diacetylacetate603-69-071 % similar 1,2-Diethyl (1R,2R)-1,2-cyclopropanedicarboxylate3999-55-165 % similar Ethyl cyclopropanecarboxylate4606-07-965 % similar Diethyl methylmalonate609-08-565 % similar Ethyl isobutyrate97-62-165 % similar 1,3-Diethyl 2-ethylpropanedioate133-13-163 % similar (-)-Diethyl tartrate13811-71-763 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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