Ethyl Methyl Carbonate - ≥98% , CAS No.623-53-0

CAS: 623-53-0 Cat. No.: E110111 Formula: C₄H₈O₃ Molecular Weight: 104.1 Beilstein Registry Number: 3(4)4 EC Number: 613-014-2

GRADE & PURITY ≥98%

Synonyms

EMC | Ethyl methyl carbonate, 99.9%, acid <10 ppm, H2O <10ppm | Methyl Ethyl Carbonate | Ester solvent | Ethoxyacetic acid, methyl ester | J-521268 | Carbonic Acid Ethyl Methyl Ester | EMC; Ethyl methyl carbonate; Ethylene methyl carbonate; Methyl ethyl c

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

EMC | Ethyl methyl carbonate, 99.9%, acid <10 ppm, H2O <10ppm | Methyl Ethyl Carbonate | Ester solvent | Ethoxyacetic acid, methyl ester | J-521268 | Carbonic Acid Ethyl Methyl Ester | EMC; Ethyl methyl carbonate; Ethylene methyl carbonate; Methyl ethyl c

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488190114

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190114

Canonical Smiles

CCOC(=O)OC

IUPAC Name

ethyl methyl carbonate

InChIKey

JBTWLSYIZRCDFO-UHFFFAOYSA-N

INCHI

1S/C4H8O3/c1-3-7-4(5)6-2/h3H2,1-2H3

Isomeric SMILES

CCOC(=O)OC

WGK Germany

3

UN Number

3272

Packing Group

II

Molecular Weight

104.1

Beilstein

3(4)4

Reaxy-Rn

1742929

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742929&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives
      • Subclass Carbonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Carbonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbonic acid diesters
• Alternative Parents: Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid diester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carbonic acid diesters. These are compounds comprising the carbonic acid diester functional group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Refractive Index: 1.3697
• Flash Point(°F): 73.4 °F
• Flash Point(°C): 23 °C
• Boil Point(°C): 90.2°C
• Melt Point(°C): 2-4°C
• Molecular Weight: 104.100 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 104.047 Da
• Monoisotopic Mass: 104.047 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 60.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1