Dimetilcarbonato - ≥99% , CAS No.616-38-6

CAS: 616-38-6 Cat. No.: D110625 Formula: C₃H₆O₃ Peso molecolare: 90.08 Beilstein Registry Number: 3,4 Numero EC: 210-478-4

GRADE & PURITY ≥99%

Synonyms

Carbonato di dimetile | DIMETHYLCARBONATE | Carbonato di metile | Estere dimetilico dell'acido carbonico | Carbonato di metile ((MeO)2CO) | Acido carbonico, estere dimetilico

Storage

Temperatura ambiente, carica di argon

Shipped In

Normale

Specifications

Sinonimi

Carbonato di dimetile | DIMETHYLCARBONATE | Carbonato di metile | Estere dimetilico dell'acido carbonico | Carbonato di metile ((MeO)2CO) | Acido carbonico, estere dimetilico

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Temperatura ambiente, carica di argon

Spedito in

Normale

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 508815600
• Sorrisi canonici: COC(=O)OC
• IUPAC Name: dimethyl carbonate
• InChIKey: IEJIGPNLZYLLBP-UHFFFAOYSA-N
• INCHI: 1S/C3H6O3/c1-5-3(4)6-2/h1-2H3
• Isomeri SMILES: COC(=O)OC
• WGK Germania: 1
• RTECS: FG0450000
• Numero UN: 1161
• Gruppo di imballaggio: II
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (react), ether, alcohol, acid, and alkalies.
• Sensibilità: Air & Moisture Sensitive
• Indice di rifrazione: 1.3687
• Punto di infiammabilità (°F): 60.8 °F
• Punto di infiammabilità (°C): 16 °C
• Punto di ebollizione (°C): 90-91°C
• Punto di fusione (°C): 2-4°C
• Peso molecolare: 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