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

CAS: 1516-08-1 Cat. No.: E102260 Peso molecular: 52.11 Beilstein Registry Number: 1699096 Número EC: 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

Argon charged

Shipped In

Normal

Descripción general

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

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

Especificaciones y pureza

anhydrous, ≥99 atom% D

Condiciones de almacenamiento de almacenamiento

Argon charged

Enviado en

Normal

Grado

Anhydrous Grade

Pureza

≥99 atom% D

Nombres e identificadores

• Pubchem Sid: 504756508
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756508
• Sonrisas canónicas: 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
• Isómeros SMILES: [2H]C([2H])([2H])C([2H])([2H])O[2H]
• WGK Alemania: 1
• PubChem CID: 102138
• Número ONU: 1170
• Peso molecular: 52.11
• Beilstein: 1699096

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water.
• Sensibilidad: Hygroscopic；Heat sensitive
• Índice de refracción: 1.358
• Punto de inflamación (°F): 57.2 °F
• Punto de inflamación (°C): 14°C
• Punto de ebullición (°C): 78°C
• Punto de fusión (°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

Referencias

1. Shuo Cao, Xinrong Jiang, Xiaoming Chen, Xuetong Qu, Jianmin Wu.  (2025)  Integrating Electrostatic Adsorption-Laser Desorption/Ionization-MS with a Derivative Full-Spectrum Internal Standard Approach for Acylcarnitine Quantification in Clinical Samples.  JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,      [PMID:40767977] [10.1021/jasms.5c00136]

2. Hongjian Huang, Zongxuan Huang, Shuichang Chen, Xiaoyu Yang, Hu Zhao, Qinhui Chen, Haiqing Liu.  (2025)  Water-Activated Degradable Supramolecular Bioadhesive Powder for Underwater Tissue Adhesion and Wound Healing.  BIOMACROMOLECULES,      [PMID:40932117] [10.1021/acs.biomac.5c01057]

3. Wang Hansen, Yan Xiaolin, Zhang Rupeng, Sun Juanjuan, Feng Fuxiang, Li Haoran, Liang Jinding, Wang Yuchun, Ye Guangzhou, Luo Xiaonan, Huang Shengyuan, Wan Pan, Hung Samantha T., Ye Fangjun, Chen Fangyun, Wu Erxiao, Zhou Jinfei, Ulissi Ulderico, Ge Xiaoming, Liu Chengyong, Xu Bo, Liu Na, Ouyang Chuying.  (2025)  Application-driven design of non-aqueous electrolyte solutions through quantification of interfacial reactions in lithium metal batteries.  Nature Nanotechnology,      [PMID:40437200] [10.1038/s41565-025-01935-y]

4. Xuefei Chen, Hanlu Guo, Zhiwei Hu, Lei Dong, Jianhua Shen, Yihua Zhu, Chunzhong Li.  (2025)  Enhanced Lewis acid-base synergistic photocatalyst for selective benzimidazole synthesis coupled with hydrogen evolution.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2025.125982]