Triethyl 1,1,2-ethanetricarboxylate

C11H18O6CAS 7459-46-3246.26 g/mol

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Ester

Properties

Molecular formula
C11H18O6
Molar mass
246.26 g/mol
Exact mass
246.1103 Da
Density
1.1018 g/mL (at 22 °C)
Boiling point
139–142 °C (at 7 Torr)
logP
0.68Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
7459-46-3
SMILES
CCOC(=O)CC(C(=O)OCC)C(=O)OCC
InChIKey
TVWZLLYAJDSSCJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H18O6/c1-4-15-9(12)7-8(10(13)16-5-2)11(14)17-6-3/h8H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

10 names
  • 1,1,2-Ethanetricarboxylic acid, 1,1,2-triethyl ester
  • 1,1,2-Ethanetricarboxylic acid, triethyl ester
  • Triethyl ethane-1,2,2-tricarboxylate
  • 1,1,2-Tricarbethoxyethane
  • Triethyl ethanetricarboxylate
  • Diethyl 2-carbethoxysuccinate
  • 2-Ethoxycarbonylsuccinic acid diethyl ester
  • NSC 78463
  • 1,1,2-Triethyl ethane-1,1,2-tricarboxylate
  • Triethyl ethane-1,1,2-tricarboxylate

Work with Triethyl 1,1,2-ethanetricarboxylate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl 2-acetylsuccinate1115-30-677 % similar 1,1,2,3-Tetraethyl 1,1,2,3-propanetetracarboxylate635-03-065 % similar Diethyl L-malate691-84-965 % similar Diethyl succinylsuccinate787-07-562 % similar 1,3-Diethyl 2-ethylpropanedioate133-13-161 % similar 1,4-Diethyl 2-(2-oxopropyl)butanedioate1187-74-259 % similar L-Aspartic acid diethyl ester hydrochloride16115-68-759 % similar Ethyl isovalerate108-64-559 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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