Deuterated ethanol

Deuterated ethanol
Names
	Preferred IUPAC name (2H5)Ethan(2H)ol
	Other names Ethanol-d6; Ethyl alcohol-d6; Ethyl-d5 alcohol-d; Hexadeuteroethanol;
Identifiers
CAS Number	1516-08-1;
3D model (JSmol)	Interactive image;
ChemSpider	92272;
PubChem CID	102138;
	InChI Key: LFQSCWFLJHTTHZ-LIDOUZCJSA-N; InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D;
	SMILES [2H]C([2H])([2H])C([2H])([2H])O[2H];
Properties
Chemical formula	C2D6O
Molar mass	52.10 g/mol
Density	0.892 g/mL
Boiling point	78 °C (172 °F; 351 K)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
	Infobox references

Deuterated ethanol (C₂D₅OD)^[2] is a form (called an isotopologue) of ethanol (C₂H₅OH) in which the hydrogen atom ("H") is replaced with deuterium (heavy hydrogen) isotope ("D"). Deuterated ethanol is an uncommon solvent used in NMR spectroscopy.

References

↑ ^1.0 ^1.1 "Ethanol-d6". Sigma-Aldrich. http://www.sigmaaldrich.com/catalog/product/aldrich/186414?lang=en.
↑ March, Raymond E.; Todd, John F. J. (2010). Practical Aspects of Trapped Ion Mass Spectrometry: Applications of Ion Trapping Devices. CRC Press. p. 38. ISBN 978-1-4200-8373-6. https://books.google.com/books?id=r9C6X0yDZDYC&q=%22Deuterated+ethanol%22+%28C2D5OD%29&pg=PA38.

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[SA-1] 1.0 ^1.1 "Ethanol-d6". Sigma-Aldrich. http://www.sigmaaldrich.com/catalog/product/aldrich/186414?lang=en.

[2] March, Raymond E.; Todd, John F. J. (2010). Practical Aspects of Trapped Ion Mass Spectrometry: Applications of Ion Trapping Devices. CRC Press. p. 38. ISBN 978-1-4200-8373-6. https://books.google.com/books?id=r9C6X0yDZDYC&q=%22Deuterated+ethanol%22+%28C2D5OD%29&pg=PA38.

[1]

[2]

v t e Deuterated NMR Solvents
Deuterated	Deuterated acetone - (CD₃)₂C=O Deuterated benzene - C₆D₆ Deuterated chloroform - CDCl₃ Deuterated dichloromethane - CD₂Cl₂ Deuterated DMF - (CD₃)₂NCOD Deuterated DMSO - (CD₃)₂S=O Deuterated ethanol - C₂D₅OD Deuterated methanol - CD₃OD Deuterated THF - (C₄D₈)O Deuterated water - D₂O
Reference 1H and 13C chemical shifts

Names


Preferred IUPAC name (²H₅)Ethan(²H)ol
Other names Ethanol-d6 Ethyl alcohol-d6 Ethyl-d5 alcohol-d Hexadeuteroethanol
Identifiers
CAS Number	1516-08-1
3D model (JSmol)	Interactive image
ChemSpider	92272
PubChem CID	102138
InChI Key: LFQSCWFLJHTTHZ-LIDOUZCJSA-N InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D
SMILES [2H]C([2H])([2H])C([2H])([2H])O[2H]
Properties
Chemical formula	C₂D₆O
Molar mass	52.10 g/mol
Density	0.892 g/mL^[1]
Boiling point	78 °C (172 °F; 351 K)^[1]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Deuterated ethanol

Topic: Chemistry

References