Dimethyl oxalate
Properties
- Molecular formula
- C4H6O4
- Molar mass
- 118.09 g/mol
- Exact mass
- 118.0266 Da
- Density
- 1.148 g/mL (at 25 °C)
- Melting point
- 54.3 °C
- Boiling point
- 163.5 °C
- logP
- -0.67Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed69.6% of notifiers
- H314 Causes severe skin burns and eye damage67% of notifiers
- H315 Causes skin irritation32.5% of notifiers
- H318 Causes serious eye damage64.4% of notifiers
- H319 Causes serious eye irritation32.5% of notifiers
Aggregated from 191 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, P501
Identifiers
CAS number
553-90-2SMILES
COC(=O)C(=O)OCInChIKey
LOMVENUNSWAXEN-UHFFFAOYSA-NInChI
InChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Ethanedioic acid, 1,2-dimethyl ester
- Ethanedioic acid, dimethyl ester
- Oxalic acid, dimethyl ester
- Methyl oxalate
- NSC 9374
Reactions
Work with Dimethyl 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
Methyl pyruvate600-22-661 % similar
Methyl oxalyl chloride5781-53-358 % similar
Methyl methacrylate80-62-655 % similar
Poly(methyl methacrylate)9011-14-755 % similar
1,3-Dimethyl 2-(methoxymethylene)propanedioate22398-14-752 % similar
Methyl 2-fluoroacrylate2343-89-752 % similar
Methyl 2-chloroacrylate80-63-752 % similar
Methyl trifluoropyruvate13089-11-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.