Dimethyl carbonate
Properties
- Molecular formula
- C3H6O3
- Molar mass
- 90.08 g/mol
- Exact mass
- 90.0317 Da
- Density
- 1.0636 g/mL (at 25 °C)
- Melting point
- 0.5 °C
- Boiling point
- 90–91 °C
- Flash point
- 14 °C (closed cup)
- Water solubility
- miscible
- logP
- 0.40Crippen estimate
- Polar surface area
- 35.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
Harmonised EU classification (CLP Annex VI, index 607-013-00-6), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
616-38-6SMILES
COC(=O)OCInChIKey
IEJIGPNLZYLLBP-UHFFFAOYSA-NInChI
InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Carbonic acid, dimethyl ester
- Methyl carbonate ((MeO)2CO)
- Methyl carbonate
- NSC 9371
- AK 100
- AK 100 (carbonate)
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 616-38-6. Each row opens the sheet with its composition and PDF.
Work with Dimethyl carbonate
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
Dimethyl dicarbonate4525-33-173 % similar
Ethyl methyl carbonate623-53-055 % similar
Chloromethyl methyl carbonate40510-81-452 % similar
Dimethyl oxalate553-90-250 % similar
Methyl 2-propen-1-yl carbonate35466-83-246 % similar
Methyl pivalate598-98-145 % similar
Methyl acetate79-20-944 % similar
Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate1459-96-743 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.