1,1,2-Triethoxyethane - ≥95% , CAS No.4819-77-6

CAS: 4819-77-6 Cat. No.: T694010 Fórmula: C₈H₁₈O₃ Peso molecular: 162.23 Número CE: 225-394-3 PubChem CID: 43390

GRADE & PURITY ≥95%

Synonyms

2-Ethoxyacetaldehyde diethylacetal | Triethoxyethane | Ethoxyacetaldehyde diethyl acetal

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2-Ethoxyacetaldehyde diethylacetal | Triethoxyethane | Ethoxyacetaldehyde diethyl acetal

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: CCOCC(OCC)OCC
• IUPAC Name: 1,1,2-triethoxyethane
• InChIKey: VNSJUZIHZNZLKM-UHFFFAOYSA-N
• INCHI: 1S/C8H18O3/c1-4-9-7-8(10-5-2)11-6-3/h8H,4-7H2,1-3H3
• SMILES isoméricas: CCOCC(OCC)OCC
• PubChem CID: 43390
• Peso molecular: 162.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetals
• Alternative Parents: Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Acetal - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
• 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

• Peso molecular: 162.230 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 162.126 Da
• Monoisotopic Mass: 162.126 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 69.700
• 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