Ethanol-d6 - Anhydrous Grade, ≥99 atom% D , CAS No.1516-08-1

CAS: 1516-08-1 Cat. No.: E102260 Formule: CD₃CD₂OD Poids moléculaire: 52.11 Beilstein Registry Number: 1699096 Numéro CE: 216-162-2 PubChem CID: 102138

GRADE & PURITY Anhydrous Grade, ≥99 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,Argon charged,Desiccated

Shipped In

Normal

Vue d’ensemble

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).

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.

Specifications

Synonymes

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

Spécifications et pureté

Anhydrous Grade, ≥99 atom% D

Conditions de stockage de stockage

Room temperature,Argon charged,Desiccated

Expédié en

Normal

Grade

Anhydrous Grade

Pureté

≥99 atom% D

Noms et identifiants

Pubchem Sid

504756508

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756508

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

1

PubChem CID

102138

Numéro ONU

1170

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water.
• Sensibilité: Hygroscopic；Heat sensitive
• Indice de réfraction: 1.358
• Point d'éclair (°F): 57.2 °F
• Point d'éclair (°C): 14°C
• Point d'ébullition (°C): 78°C
• Point de fusion (°C): -130 °C (lit.)
• Poids moléculaire: 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