Ethanol-d6 - ≥99.5 atom% D , CAS No.1516-08-1

CAS: 1516-08-1 Cat. No.: E102259 Fórmula: CD₃CD₂OD Peso molecular: 52.11 Beilstein Registry Number: 1699096 Número CE: 216-162-2 PubChem CID: 102138

GRADE & PURITY ≥99.5 atom% D

Synonyms

Ethyl-d5 alcohol-d, anhydrous | Q1101193 | Ethyl alcohol-d6 | DTXSID80934298 | 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane | ETHANOL-D6 (9CI) | Ethanol-d6, anhydrous, >=99.5 atom % D | J-008826 | Ethanol D6 anhydrous | CHEBI:193043 | (~2~H_5_)Ethan(~2~H)o

Storage

Room temperature

Shipped In

Normal

Visão geral

Product Application：

Ethanol-d6 may be used as a solvent for the tributylphosphine (PBu3) induced 5-exo cyclization of an o-alkynoylphenol to form deuterated aurone.

Product Description：

Ethanol-d6 is a deuterated derivative of ethanol. It has an isotopic purity of 99.5atom%D. It is a standard purity solvent suitable for routine NMR analyses (conducted at ambient temperatures where quality is less critical).

Specifications

Sinónimos

Ethyl-d5 alcohol-d, anhydrous | Q1101193 | Ethyl alcohol-d6 | DTXSID80934298 | 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane | ETHANOL-D6 (9CI) | Ethanol-d6, anhydrous, >=99.5 atom % D | J-008826 | Ethanol D6 anhydrous | CHEBI:193043 | (~2~H_5_)Ethan(~2~H)o

Especificações e pureza

≥99.5 atom% D

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99.5 atom% D

Nomes e identificadores

Pubchem Sid

488187289

Sorrisos canónicos

CCO

IUPAC Name

1,1,1,2,2-pentadeuterio-2-deuteriooxyethane

InChIKey

LFQSCWFLJHTTHZ-LIDOUZCJSA-N

INCHI

1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D

SMILES isoméricas

[2H]C([2H])([2H])C([2H])([2H])O[2H]

WGK Alemanha

1

PubChem CID

102138

Número UN

1170

Peso molecular

52.11

Beilstein

1699096

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

• Solubilidade: Soluble in water.
• Sensibilidade: Hygroscopic
• Índice de refração: 1.358
• Ponto de inflamação (°F): 57.2 °F
• Ponto de inflamação (°C): 14°C
• Ponto de ebulição (°C): 78°C
• Ponto de fusão (°C): -130 °C (lit.)
• Peso molecular: 52.110 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 52.0795 Da
• Monoisotopic Mass: 52.0795 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 2.800
• 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

Perguntas frequentes

What is the isotopic enrichment of this product?

This product is isotopically enriched to ≥99.5 atom% deuterium. 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 is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1516-08-1, the molecular formula is CD3CD2OD, and the molecular weight is 52.11 g/mol. InChIKey LFQSCWFLJHTTHZ-LIDOUZCJSA-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.