Ethyl Methyl Carbonate

• CAS: 623-53-0
• Catalog Number: ACM623530
• Category: Renewable & Alternative Energy
• Molecular Weight: 104.11
• Molecular Formula: C4H8O3
• Description: Liquid
• Synonyms: Carbonic Acid Ethyl Methyl Ester
• IUPAC Name: ethyl methyl carbonate
• Canonical SMILES: CCOC(=O)OC
• InChI: InChI=1S/C4H8O3/c1-3-7-4(5)6-2/h3H2,1-2H3
• InChI Key: JBTWLSYIZRCDFO-UHFFFAOYSA-N
• Boiling Point: 107 °C
• Flash Point: 27 °C
• Appearance: Colorless to Almost colorless clear liquid
• Application: Ethyl methyl carbonate (EMC) serves as a crucial component in the realm of lithium-ion batteries, primarily functioning as a high-quality co-solvent in nonaqueous electrolytes. This colorless, transparent liquid, characterized by its slight irritant odor, plays a pivotal role in enhancing the performance of such batteries. By increasing the solubility of lithium ions, EMC significantly boosts both the energy density and discharge capacity of the batteries. Furthermore, its excellent thermal conductivity and low electrical resistance help in extending the operational temperature range, thereby improving the overall safety and longevity of the battery systems. Its synthesis often involves metal oxide-catalyzed transesterification using dimethyl carbonate and diethyl carbonate, achieving high yields in either liquid or vapor phase reactions. Overall, EMC is vital for improving the electrochemical performance of lithium-ion batteries, due to its ability to enhance the battery's capacity and efficiency while ensuring safety and durability.
• Complexity: 60
• Covalently-Bonded Unit Count: 1
• EC Number: 433-480-9;613-014-2
• Exact Mass: 104.047344g/mol
• Formal Charge: 0
• Hazard Statements: H226 : Flammable liquid and vapor.
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 7
• MDL Number: MFCD00191398
• Monoisotopic Mass: 104.047344g/mol
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P240 : Ground/bond container and receiving equipment.P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.P233 : Keep container tightly closed.P243 : Take precautionary measures against static discharge.P241 : Use explosion-proof electrical/ ventilating/ lighting/ equipment.P242 : Use only non-sparking tools.P280 : Wear protective gloves/ eye protection/ face protection.P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.P403 + P235 : Store in a well-ventilated place. Keep cool.
• Refractive Index: 1.38
• Rotatable Bond Count: 3
• Signal Word: Warning
• Specific Gravity: 1.01
• UNII: OU358HAE25
• XLogP3: 0.9

Custom Q&A

What is the molecular formula of ethyl methyl carbonate?

The molecular formula of ethyl methyl carbonate is C4H8O3.

What are some synonyms of ethyl methyl carbonate?

Some synonyms of ethyl methyl carbonate are carbonic acid, ethyl methyl ester and methyl ethyl carbonate.

What is the molecular weight of ethyl methyl carbonate?

The molecular weight of ethyl methyl carbonate is 104.10 g/mol.

What is the IUPAC name of ethyl methyl carbonate?

The IUPAC name of ethyl methyl carbonate is ethyl methyl carbonate.

What is the InChI key of ethyl methyl carbonate?

The InChI key of ethyl methyl carbonate is JBTWLSYIZRCDFO-UHFFFAOYSA-N.

What is the canonical SMILES of ethyl methyl carbonate?

The canonical SMILES of ethyl methyl carbonate is CCOC(=O)OC.

What is the CAS number of ethyl methyl carbonate?

The CAS number of ethyl methyl carbonate is 623-53-0.

What is the UNII of ethyl methyl carbonate?

The UNII of ethyl methyl carbonate is OU358HAE25.

What is the XLogP3-AA value of ethyl methyl carbonate?

The XLogP3-AA value of ethyl methyl carbonate is 0.9.

Is ethyl methyl carbonate a canonicalized compound?

Yes, ethyl methyl carbonate is a canonicalized compound.