Ethylene glycol-(OD)₂ - ≥98 atom% D,≥98% , CAS No.2219-52-5

CAS: 2219-52-5 Cat. No.: E472164 分子式: DOCH₂CH₂OD 分子量: 64.08 EC番号: 689-491-6

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

MFCD00075277 | Ethylene glycol-(OD)2 | J-014581 | 1,2-Ethanediol-d2(9ci) | D98232 | 1,2-dideuteriooxyethane | ethylene glycol2 | Ethylene glycol-d2 | HY-Y0338S | Ethylene glycol-(OD)2, 98 atom % D, 99% (CP) | LYCAIKOWRPUZTN-NMQOAUCRSA-N | DTXSID20450700 |

Storage

Room temperature

Specifications

同義語

MFCD00075277 | Ethylene glycol-(OD)2 | J-014581 | 1,2-Ethanediol-d2(9ci) | D98232 | 1,2-dideuteriooxyethane | ethylene glycol2 | Ethylene glycol-d2 | HY-Y0338S | Ethylene glycol-(OD)2, 98 atom % D, 99% (CP) | LYCAIKOWRPUZTN-NMQOAUCRSA-N | DTXSID20450700 |

仕様と純度

≥98 atom% D,≥98%

保管条件

Room temperature

純度

≥98 atom% D,≥98%

名前と識別子

パブケム・シド

504765836

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504765836

カノニカル・スマイル

C(CO)O

IUPAC Name

1,2-dideuteriooxyethane

InChIKey

LYCAIKOWRPUZTN-NMQOAUCRSA-N

INCHI

1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i3D,4D

異性体SMILES

[2H]OCCO[2H]

分子量

64.08

Reaxy-Rn

505945

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=505945&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 屈折率: n20/D 1.429 (lit.)
• 引火点（°F）: 230.0 °F - closed cup
• 引火点（°C）: 110 °C - closed cup
• 沸点（°C）: 196-198℃ (lit.)
• 融点（°C）: -13℃ (lit.)
• 分子量: 64.080 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 64.0493 Da
• Monoisotopic Mass: 64.0493 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 6.000
• Isotope Atom Count: 2
• 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

よくある質問

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is isotopically enriched to ≥98 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2219-52-5, the molecular formula is C2H6O2, and the molecular weight is 64.08 g/mol. InChIKey LYCAIKOWRPUZTN-NMQOAUCRSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.