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

CAS: 1516-08-1 Cat. No.: E102260 Molecular Weight: 52.11 Beilstein Registry Number: 1699096 EC Number: 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

Overview

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

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

Specifications & Purity

anhydrous, ≥99 atom% D

Storage

Argon charged

Shipped In

Normal

Grade

Anhydrous Grade

Purity

≥99 atom% D

Names and Identifiers

• Pubchem Sid: 504756508
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756508
• Canonical Smiles: 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
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])O[2H]
• WGK Germany: 1
• PubChem CID: 102138
• UN Number: 1170
• Molecular Weight: 52.11
• Beilstein: 1699096

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Hygroscopic；Heat sensitive
• Refractive Index: 1.358
• Flash Point(°F): 57.2 °F
• Flash Point(°C): 14°C
• Boil Point(°C): 78°C
• Melt Point(°C): -130 °C (lit.)
• Molecular Weight: 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

References

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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]