methoxymagnesio methyl carbonate

• ChemBase ID: 148136
• Molecular Formular: C3H6MgO4
• Molecular Mass: 130.38234
• Monoisotopic Mass: 130.01165037
• SMILES: COC(=O)O[Mg]OC
• Canonical SMILES: CO[Mg]OC(=O)OC
• InChI: InChI=1S/C2H4O3.CH3O.Mg/c1-5-2(3)4;1-2;/h1H3,(H,3,4);1H3;/q;-1;+2/p-1
• InChIKey: PNVKCUSCADAAMP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: methoxymagnesio methyl carbonate
• IUPAC Traditional name: methoxymagnesio methyl carbonate
• Synonyms: MMC; Methoxymagnesium methyl carbonate; Methyl methoxymagnesium carbonate; Stile’s reagent; Magnesium methyl carbonate solution; Stile 试剂; 甲基甲氧基镁碳酸酯; 甲氧基镁碳酸甲酯; 甲基镁碳酸酯 溶液

Database IDs

• CAS Number: 4861-79-4
• MDL Number: MFCD00008418
• Beilstein Number: 4342967
• PubChem SID: 24854927; 162242313; 24854928
• PubChem CID: 78578

CALCULATED PROPERTIES

• Molar Refractivity: 20.3866 cm^3
• Polarizability: 10.705664 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.0397
• LogD (pH = 7.4): -0.0397
• Log P: -0.0397

PROPERTIES

Physical Property

• Flash Point: 11 °C; 136.4 °F; 52 °F; 58 °C
• Density: 0.849 g/mL at 25 °C; 1.103 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1992; 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; 3
• Risk Statements: 11-23/24/25; 61-20/21-36/38
• Safety Statements: 16-36/37/39-38-45; 53-26-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H312-H315-H331-H360D
• GHS Precautionary statements: P201-P202-P261-P280-P281-P308 + P313-P311
• RID/ADR: UN 1992 3/PG 2; UN 1993 3/PG 3

Product Information

• Concentration: 0.5 M in methanol; 2.0 M in DMF
• Linear Formula: CH3OMgOCO2CH3

DETAILS

Sigma Aldrich - 248428

Packaging
Packaged in Sure/Seal™ bottles

Sigma Aldrich - 248401

Packaging
100, 800 mL in Sure/Seal™