1,3-Dioxolane-2,2-diethanol - ≥97% , CAS No.5694-95-1

CAS: 5694-95-1 Cat. No.: D698131 Fórmula: C₇H₁₄O₄ Peso molecular: 162.18 Número CE: 877-780-1

GRAU & PUREZA ≥97%

Synonyms

2,2'-(1,3-Dioxolane-2,2-diyl)diethanol

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Especificações

Sinónimos

2,2'-(1,3-Dioxolane-2,2-diyl)diethanol

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged

Enviado em

Wet ice

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

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528753729

Sorrisos canónicos

C1COC(O1)(CCO)CCO

IUPAC Name

2-[2-(2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol

InChIKey

OQISMXPUYQRVLR-UHFFFAOYSA-N

INCHI

1S/C7H14O4/c8-3-1-7(2-4-9)10-5-6-11-7/h8-9H,1-6H2

SMILES isoméricas

C1COC(O1)(CCO)CCO

Peso molecular

162.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: 1,3-dioxolanes Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Ketal - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

• Sensibilidade: light sensitive
• Peso molecular: 162.180 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 162.089 Da
• Monoisotopic Mass: 162.089 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 101.000
• 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