Basic information
- Name:
Dimethyl carbonate
- CAS No.:
616-38-6
- Molecular Structure:
- Formula:
- C3H6O3
- Molecular Weight:
- 90.09
- Synonyms:
- Methyl carbonate ((MeO)2CO);Carbonic acid, dimethyl ester;Dimethyl carbonate [UN1161] [Flammable liquid];Carbonic acid,esters,dimethyl ester;Methyl Carbonate;
- EINECS:
- 210-478-4
- Density:
- 1.024 g/cm3
- Melting Point:
- 2-4 °C(lit.)
- Boiling Point:
- 90.5 °C at 760 mmHg
- Flash Point:
- 18.333 °C
- Solubility:
- 139 g/L in water
- Appearance:
- colourless liquid
- Hazard Symbols:
F- Risk Codes:
- 11
- Safety Description:
- 9-16 Details
- Transport Information:
- UN 1161 3/PG 2
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Chemistry
Molecule structure of Dimethyl carbonate (CAS NO.616-38-6):
IUPAC Name: Dimethyl carbonate
Molecular Weight: 90.07794 g/mol
Molecular Formula: C3H6O3
Density: 1.024 g/cm3
Melting Point: 2-4 °C(lit.)
Boiling Point: 90.5 °C at 760 mmHg
Flash Point: 18.3 °C
Index of Refraction: 1.361
Molar Refractivity: 19.46 cm3
Molar Volume: 87.9 cm3
Surface Tension: 24.6 dyne/cm
Enthalpy of Vaporization: 33.05 kJ/mol
Vapour Pressure: 56 mmHg at 25 °C
Storage Temp.: flammables area
Water Solubility: 139 g/L
XLogP3-AA: 0.5
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 90.031694
MonoIsotopic Mass: 90.031694
Topological Polar Surface Area: 35.5
Heavy Atom Count: 6
Canonical SMILES: COC(=O)OC
InChI: InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3
InChIKey: IEJIGPNLZYLLBP-UHFFFAOYSA-N
EINECS: 210-478-4
Product Categories: Pharmaceutical Intermediates; Organics; Alternative Energy; Electrolytes; Materials Science; Anhydrous Grade SolventsSolvents; Solvent Bottles; Solvents; Sure/Seal Bottles; Carbonates; Carbonyl Compounds; Organic Building Blocks
Uses
Dimethyl carbonate (CAS NO.616-38-6) is a carbonate ester which has recently found use as a methylating reagent. It is also used as intermediate of herbicide.
Production
Dimethyl carbonate (CAS NO.616-38-6) is now prepared from catalytic oxidative carbonylation of methanol with carbon monoxide and oxygen, instead of from phosgene.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 361, 1979. | |
| mouse | LD50 | oral | 6gm/kg (6000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 361, 1979. | |
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 361, 1979. | |
| rat | LD50 | intraperitoneal | 1600mg/kg (1600mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 361, 1979. | |
| rat | LD50 | oral | 13gm/kg (13000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 361, 1979. |
Safety Profile
Hazard Codes: 
F
Risk Statements: 11
R11:Highly flammable.
Safety Statements: 9-16
S9:Keep container in a well-ventilated place.
S16:Keep away from sources of ignition.
RIDADR: UN 1161 3/PG 2
WGK Germany: 1
RTECS: FG0450000
HazardClass: 3
PackingGroup: II
Specification
Dimethyl carbonate (CAS NO.616-38-6) is also named as AI3-14705 ; HSDB 6928 ; Methyl carbonate ; Methyl carbonate ((MeO)2CO) ; NSC 9371 ; Carbonic acid, dimethyl ester . Dimethyl carbonate is colourless liquid with a pleasant odor. It is slightly soluble in water and highly flammable. Dimethyl carbonate reacts with acids to liberate heat along with methanol and carbon dioxide. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction with caustic solutions. Flammable hydrogen is generated by mixing with alkali metals and hydrides. It may cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. It will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated.