Ethylene glycol-d6 - ≥98 atom% D,≥98% , CAS No.15054-86-1

CAS: 15054-86-1 Cat. No.: E336117 Fórmula: C₂D₆O₂ Peso molecular: 68.1 Número CE: 239-122-6

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane | (1,1,2,2-2H4)Ethane-1,2-(2H2)diol | D98576 | EINECS 239-122-6 | 1,2-Ethane-1,1,2,2-d4-diol-d2 | DTXSID00164570 | (?H?)ethane-1,2-di(?H)ol | Ethylene glycol-d6 | J-008717 | Ethylen-d4 glycol-d2 | MFCD00078666

Storage

Protected from light,Room temperature

Shipped In

Normal

Visão geral

Ethylene glycol-d6 is a deuterated NMR solvent useful in NMR-based research and analyses. Its infrared spectrum has been recorded.

Specifications

Sinónimos

1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane | (1,1,2,2-2H4)Ethane-1,2-(2H2)diol | D98576 | EINECS 239-122-6 | 1,2-Ethane-1,1,2,2-d4-diol-d2 | DTXSID00164570 | (?H?)ethane-1,2-di(?H)ol | Ethylene glycol-d6 | J-008717 | Ethylen-d4 glycol-d2 | MFCD00078666

Especificações e pureza

≥98 atom% D,≥98%

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

Normal

Pureza

≥98 atom% D,≥98%

Nomes e identificadores

• Pubchem Sid: 504760967
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760967
• IUPAC Name: 1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane
• InChIKey: LYCAIKOWRPUZTN-UFSLNRCZSA-N
• INCHI: 1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i1D2,2D2,3D,4D
• SMILES isoméricas: [2H]C([2H])(C([2H])([2H])O[2H])O[2H]
• CAS alternativo: 107-21-1 (unlabeled)
• Número UN: 3082
• Grupo de embalagem: III
• Peso molecular: 68.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Polyols
          • Level6 1,2-diols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Polyols
• Direct Parent: 1,2-diols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-diol - Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
• 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; Moisture sensitive
• Índice de refração: n20/D 1.431 (lit.)
• Ponto de ebulição (°C): 196-198° C (lit.)
• Ponto de fusão (°C): -13° C (lit.)
• Peso molecular: 68.100 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 68.0744 Da
• Monoisotopic Mass: 68.0744 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 6.000
• Isotope Atom Count: 6
• 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