Dimethyl carbonate（DMC） - for synthesis , CAS No.616-38-6

CAS: 616-38-6 Cat. No.: D433123 Fórmula: C₃H₆O₃ Peso molecular: 90.08 Beilstein Registry Number: 3,4 Número CE: 210-478-4

GRADE & PURITY for Synthesis

Synonyms

Dimethyl carbonate [UN1161] [Flammable liquid] | Dimethyl carbonate, >=99.9%, acid <10 ppm, H2O <10 ppm | AMY37165 | Dimethyl carbonate | dimethy carbonate | Tox21_303590 | Dimethyl carbonate, anhydrous, >=99% | EINECS 210-478-4 | DIMETHYL CARBONATE [INCI

Storage

Room temperature

Shipped In

FedEx DG Service

Visão geral

General Description

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Specifications

Sinónimos

Dimethyl carbonate [UN1161] [Flammable liquid] | Dimethyl carbonate, >=99.9%, acid <10 ppm, H2O <10 ppm | AMY37165 | Dimethyl carbonate | dimethy carbonate | Tox21_303590 | Dimethyl carbonate, anhydrous, >=99% | EINECS 210-478-4 | DIMETHYL CARBONATE [INCI

Especificações e pureza

for synthesis

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

for Synthesis

Nomes e identificadores

Pubchem Sid

504752243

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752243

Sorrisos canónicos

COC(=O)OC

IUPAC Name

dimethyl carbonate

InChIKey

IEJIGPNLZYLLBP-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

COC(=O)OC

WGK Alemanha

1

RTECS

FG0450000

Número UN

1161

Grupo de embalagem

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
    • 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: 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

Propriedades químicas e físicas

• Solubilidade: 139g/L
• Índice de refração: 1.3687
• Ponto de inflamação (°F): 60.8 °F
• Ponto de inflamação (°C): 16 °C
• Ponto de ebulição (°C): 90-91°C
• Ponto de fusão (°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