Diethyl oxalate
Properties
- Molecular formula
- C6H10O4
- Molar mass
- 146.14 g/mol
- Exact mass
- 146.0579 Da
- Density
- 1.0785 g/mL (at 20 °C)
- Melting point
- −38.5 °C
- Boiling point
- 185.7 °C
- Flash point
- 75.6 °C
- Water solubility
- miscible
- logP
- 0.11Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowedAcute toxicity, oral
- H319 Causes serious eye irritationSerious eye damage/eye irritation
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501
Identifiers
CAS number
95-92-1SMILES
CCOC(=O)C(=O)OCCInChIKey
WYACBZDAHNBPPB-UHFFFAOYSA-NInChI
InChI=1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Ethanedioic acid, 1,2-diethyl ester
- Oxalic acid, diethyl ester
- Ethanedioic acid, diethyl ester
- Diethyl ethanedioate
- Ethyl oxalate
- NSC 8851
Reactions
Work with Diethyl oxalate
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
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Ethyl 2-oxobutanoate15933-07-064 % similar
Ethyl oxalyl chloride4755-77-564 % similar
Ethyl oxamate617-36-764 % similar
1,3-Diethyl 2-(1-methylethylidene)propanedioate6802-75-164 % similar
Ethyl methacrylate97-63-261 % similar
Ethyl N,N-dimethyloxamate16703-52-958 % similar
Ethyl thiooxamate16982-21-158 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds