Dimethyl carbonate Description
Dimethyl carbonate is used for cold sterilisation of beverages. Effective against typical beverage-spoiling microorganisms, like yeasts and fermentative bacteria Dimethyl carbonate, often abbreviated DMC, is a flammable clear liquid boiling at 90 °C. It has recently found use as a methylating reagent. Its main benefit over other methylating reagents such as iodomethane and dimethyl slifate is its lesser toxicity and its biodegradability. Also, it is now prepared from catalytic oxidative carbonylation of methanol with carbon monoxide and oxygen, instead of from phosgene making its production non-toxic and environmentally friendly. This allows dimethyl carbonate to be considered a green reagent.Dimethyl carbonate belongs to the family of Dicarboxylic Acids and Derivatives. These are organic compounds containing exactly two carboxylic acid groups. Structure
Structure for HMDB29580 (Dimethyl carbonate)
Synonyms
Value Source Carbonic acid, dimethyl esterChEBI DMCChEBI Methyl carbonateChEBI Carbonate, dimethyl esterGenerator Dimethyl carbonic acidGenerator Methyl carbonic acidGenerator Carbonic acid dimethyl ester, 9ciHMDB CH3OCOOCH3HMDB Dimethyl ester OF carbonic acidHMDB e242HMDB Methyl carbonate ((meo)2co)HMDB Methyl carbonate, 11C-labeledMeSH Methyl carbonate, hexachloroantimonate (1-)MeSH Methyl carbonate, hexachloroantimonate (1-) (2:1)MeSH
Chemical Formlia
C3H6O3 Average Molecliar Weight
90.0779 Monoisotopic Molecliar Weight
90.031694058 IUPAC Name
dimethyl carbonate Traditional Name
dimethyl carbonate CAS Registry Number
616-38-6 SMILES
InChI Identifier
InChI Key
IEJIGPNLZYLLBP-UHFFFAOYSA-N Chemical Taxonomy Description
This compound belongs to the class of chemical entities known as carbonic acid diesters. These are compounds comprising the carbonic acid diester functional group. Kingdom
Chemical entities Super Class
Organic compounds Class
Organic acids and derivatives Sub Class
Organic carbonic acids and derivatives Direct Parent
Carbonic acid diesters Alternative Parents
Substituents
Molecliar Framework
Aliphatic acyclic compounds External Descriptors
Ontology Status
Expected but not Quantified Origin
Biofunction
Not Available Application
Cellliar locations
Physical Properties State
Liquid Experimental Properties
Property Value Reference Melting Point0.5 °CNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogPNot AvailableNot Available
Predicted Properties
Property Value Source Water Solubility225.0 mg/mLALOGPS logP0.03ALOGPS logP0.54ChemAxon logS0.4ALOGPS pKa (Strongest Basic)-5.5ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count2ChemAxon Hydrogen Donor Count0ChemAxon Polar Surface Area35.53 Å2ChemAxon Rotatable Bond Count2ChemAxon Refractivity19.04 m3·mol-1ChemAxon Polarizability8.3 Å3ChemAxon Number of Rings0ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon
Spectra Spectra
Spectrum Type Description Splash Key Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
Biological Properties Cellliar Locations
Biofluid Locations
Not Available Tissue Location
Not Available Pathways
Not Available Normal Concentrations Not Available Abnormal Concentrations
Not Available Associated Disorders and Diseases Disease References
None Associated OMIM IDs
None External Links DrugBank ID
Not Available DrugBank Metabolite ID
Not Available Phenol Explorer Compound ID
Not Available Phenol Explorer Metabolite ID
Not Available FoodDB ID
FDB000737 KNApSAcK ID
Not Available Chemspider ID
11526 KEGG Compound ID
Not Available BioCyc ID
Not Available BiGG ID
Not Available Wikipedia Link
Dimethyl_carbonate NuGOwiki Link
HMDB29580 Metagene Link
HMDB29580 METLIN ID
Not Available PubChem Compound
12021 PDB ID
Not Available ChEBI ID
36596
References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Download (PDF) General References- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .