Ethylene glycol-¹³C₂ - ≥99 atom% 13C , CAS No.104700-12-1

CAS: 104700-12-1 Cat. No.: E473803 分子式: ¹³C₂H₆O₂ 分子量: 64.05 EC番号: 693-273-6

GRADE & PURITY ≥99 atom% 13C

Synonyms

Ethylene glycol-13C2, 99 atom % 13C | (~13~C_2_)Ethane-1,2-diol | 1,2-Ethanediol-1,2-13c2(9ci) | Ethylene glycol-13C2 | DTXSID40583948 | 1,2-Ethylene Glycol-13C2 | HY-Y0338S1 | ETHYLENE GLYCOL (1,2-13C2) | (1,2-13C2)ethane-1,2-diol | J-001231

Storage

Room temperature

Specifications

同義語

Ethylene glycol-13C2, 99 atom % 13C | (~13~C_2_)Ethane-1,2-diol | 1,2-Ethanediol-1,2-13c2(9ci) | Ethylene glycol-13C2 | DTXSID40583948 | 1,2-Ethylene Glycol-13C2 | HY-Y0338S1 | ETHYLENE GLYCOL (1,2-13C2) | (1,2-13C2)ethane-1,2-diol | J-001231

仕様と純度

≥99 atom% 13C

保管条件

Room temperature

純度

≥99 atom% 13C

名前と識別子

• カノニカル・スマイル: C(CO)O
• IUPAC Name: (1,2-13C2)ethane-1,2-diol
• InChIKey: LYCAIKOWRPUZTN-ZDOIIHCHSA-N
• INCHI: 1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i1+1,2+1
• 異性体SMILES: [13CH2]([13CH2]O)O
• 分子量: 64.05
• 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

• 分子量: 64.053 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 64.0435 Da
• Monoisotopic Mass: 64.0435 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

What is the isotopic enrichment of this product?

This product is isotopically enriched to ≥99 atom% carbon-13. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 104700-12-1, the molecular formula is 13C2H6O2, and the molecular weight is 64.05 g/mol. InChIKey LYCAIKOWRPUZTN-ZDOIIHCHSA-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.