Ethylene carbonate solution - 1 M in THF , CAS No.96-49-1

CAS: 96-49-1 Cat. No.: E434620 Summenformel: C₃H₄O₃ Molekulargewicht: 88.06 Beilstein Registry Number: 106249 EG-Nummer: 202-510-0

QUALITÄT & REINHEIT 1 M in THF

Synonyms

Ethylene glycol, cyclic carbonate | UNII-RGJ96TB7R7 | (1,3)dioxolan-2-one | CCRIS 293 | DTXSID2026600 | J-503937 | 2-(3,4-Difluorophenoxy)propane | EC 202-510-0 | NSC16568 | NSC-16568 | ethylenecarbonate | NCGC00258628-01 | 2-Dioxolone | Ethylenester kyse

Storage

Room temperature,Desiccated

Shipped In

Normal

Übersicht

Application

Valuable building block or solvent offered as a solution in tetrahydrofuran for more convenient handling.

Spezifikationen

Synonyme

Ethylene glycol, cyclic carbonate | UNII-RGJ96TB7R7 | (1,3)dioxolan-2-one | CCRIS 293 | DTXSID2026600 | J-503937 | 2-(3,4-Difluorophenoxy)propane | EC 202-510-0 | NSC16568 | NSC-16568 | ethylenecarbonate | NCGC00258628-01 | 2-Dioxolone | Ethylenester kyse

Spezifikationen & Reinheit

1 M in THF

Storage

Room temperature,Desiccated

Verschickt in

Normal

Namen und Kennungen

Kanonisches Lächeln

C1COC(=O)O1

IUPAC Name

1,3-dioxolan-2-one

InChIKey

KMTRUDSVKNLOMY-UHFFFAOYSA-N

INCHI

1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2

Isomere SMILES

C1COC(=O)O1

WGK Deutschland

1

RTECS

FF9550000

Molekulargewicht

88.06

Beilstein

106249

Reaxy-Rn

106249

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106249&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic carbonic acids and derivatives
• Subclass: Carbonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbonic acid diesters
• Alternative Parents: 1,3-dioxolanes Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Carbonic acid diester - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°C): 58.5 °C
• Siedepunkt (°C): 243-244°C
• Schmelzpunkt (°C): 34-37°C
• Molekulargewicht: 88.060 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 88.016 Da
• Monoisotopic Mass: 88.016 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 60.400
• 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