Ethyl Methyl Carbonate - ≥99%, water≤50ppm , CAS No.623-53-0

CAS: 623-53-0 Cat. No.: E1524634 Fórmula: C₄H₈O₃ Peso molecular: 104.1 Beilstein Registry Number: 3(4)4 Número CE: 613-014-2

GRADE & PURITY ≥99%, water≤50ppm

Storage

Room temperature

Shipped In

Normal

Specifications

Especificações e pureza

≥99%, water≤50ppm

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

• Sorrisos canónicos: 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
• SMILES isoméricas: CCOC(=O)OC
• WGK Alemanha: 3
• Número UN: 3272
• Grupo de embalagem: II
• Peso molecular: 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
    • Classe Organic carbonic acids and derivatives
      • Subclass Carbonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: 1.3697
• Ponto de inflamação (°F): 73.4 °F
• Ponto de inflamação (°C): 23 °C
• Ponto de ebulição (°C): 90.2°C
• Ponto de fusão (°C): 2-4°C
• Peso molecular: 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