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

CAS: 4819-77-6 Cat. No.: T694010 Formule: C₈H₁₈O₃ Poids moléculaire: 162.23 Numéro 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

Synonymes

2-Ethoxyacetaldehyde diethylacetal | Triethoxyethane | Ethoxyacetaldehyde diethyl acetal

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: CCOCC(OCC)OCC
• PubChem CID: 43390
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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