Dimethyl carbonate - Ultra dry,≥99%,water≤20 ppm , CAS No.616-38-6

CAS: 616-38-6 Cat. No.: D1520949 Fórmula: C₃H₆O₃ Peso molecular: 90.08 Beilstein Registry Number: 3,4 Número EC: 210-478-4

GRADE & PURITY Ultra dry, ≥99%, water≤20 ppm

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Especificaciones y pureza

Ultra dry,≥99%,water≤20 ppm

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Grado

Ultra dry

Pureza

≥99%

Nombres e identificadores

Sonrisas canónicas

COC(=O)OC

IUPAC Name

dimethyl carbonate

InChIKey

IEJIGPNLZYLLBP-UHFFFAOYSA-N

INCHI

1S/C3H6O3/c1-5-3(4)6-2/h1-2H3

Isómeros SMILES

COC(=O)OC

WGK Alemania

1

RTECS

FG0450000

Número ONU

1161

Grupo de embalaje

II

Peso molecular

90.08

Beilstein

3,4

Reaxy-Rn

635821

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635821&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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: carbonate ester

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

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Índice de refracción: 1.3687
• Punto de inflamación (°F): 60.8 °F
• Punto de inflamación (°C): 16 °C
• Punto de ebullición (°C): 90-91°C
• Punto de fusión (°C): 2-4°C
• Peso molecular: 90.080 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 90.0317 Da
• Monoisotopic Mass: 90.0317 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 44.000
• 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