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

CAS: 15054-86-1 Cat. No.: E336117 Molecular Weight: 68.1 EC Number: 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

Overview

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

Specifications

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

Specifications & Purity

≥98 atom% D, ≥98%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥98 atom% D, ≥98%

Names and Identifiers

• 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
• Isomeric SMILES: [2H]C([2H])(C([2H])([2H])O[2H])O[2H]
• Alternate CAS: 107-21-1 (unlabeled)
• UN Number: 3082
• Packing Group: III
• Molecular Weight: 68.1

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive; Moisture sensitive
• Refractive Index: n20/D 1.431 (lit.)
• Boil Point(°C): 196-198° C (lit.)
• Melt Point(°C): -13° C (lit.)
• Molecular Weight: 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