Deuterated methanol: Difference between revisions

Deuterated methanol
Names
	Preferred IUPAC name (2H3)Methan(2H)ol
Identifiers
CAS Number	811-98-3;
3D model (JSmol)	Interactive image;
Beilstein Reference	1733278
ChEBI	CHEBI:156265;
ChemSpider	64640 ;
ECHA InfoCard	100.011.253
EC Number	212-378-6;
PubChem CID	71568;
UN number	1230
CompTox Dashboard (EPA)	DTXSID801010038 ;
	InChI InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2D Key: OKKJLVBELUTLKV-MZCSYVLQSA-N;
	SMILES [2H]OC([2H])([2H])[2H];
Properties
Chemical formula	CD4O
Molar mass	36.0665 g mol−1
Density	0.888 g cm−3
Melting point	−98 °C (−144 °F; 175 K)
Boiling point	65 °C (149 °F; 338 K)
Thermochemistry
Heat capacity (C)	87.9 J K−1 mol−1
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H225, H301, H311, H331, H370
Precautionary statements	P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P307+P311, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, P501
Flash point	11 °C (52 °F; 284 K)
Related compounds
Related compounds	Methanol
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

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Deuterated methanol (CD₃OD), is a form (called an isotopologue) of methanol (CH₃OH) in which the hydrogen atoms ("H") are replaced with deuterium (heavy hydrogen) isotope ("D").^[1] Deuterated methanol is a common solvent used in NMR spectroscopy.

Deuterated methanol was first detected in interstellar space was Orion-KL in 1988 by scientists at the Max Planck Institute for Radio Astronomy.^[2]

References

^ Bizzocchi, L.; Caselli, P.; Spezzano, S.; Leonardo, E. (2014-09-01). "Deuterated methanol in the pre-stellar core L1544". Astronomy & Astrophysics. 569: A27. arXiv:1408.2491. Bibcode:2014A&A...569A..27B. doi:10.1051/0004-6361/201423858. ISSN 0004-6361.
^ Mauersberger, R.; Henkel, C.; Jacq, T.; Walmsley, C. M. (1988-04-01). "Deuterated methanol in Orion". Astronomy and Astrophysics. 194: L1–L4. Bibcode:1988A&A...194L...1M. ISSN 0004-6361.

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[1] Bizzocchi, L.; Caselli, P.; Spezzano, S.; Leonardo, E. (2014-09-01). "Deuterated methanol in the pre-stellar core L1544". Astronomy & Astrophysics. 569: A27. arXiv:1408.2491. Bibcode:2014A&A...569A..27B. doi:10.1051/0004-6361/201423858. ISSN 0004-6361.

[2] Mauersberger, R.; Henkel, C.; Jacq, T.; Walmsley, C. M. (1988-04-01). "Deuterated methanol in Orion". Astronomy and Astrophysics. 194: L1–L4. Bibcode:1988A&A...194L...1M. ISSN 0004-6361.

[1]

[2]

@@ Line 1: / Line 1: @@
+{{short description|Chemical compound}}
-{{Unreferenced|date = February 2007}}
 {{Chembox
+| Name           =
-| ImageFile = Deuterated methanol.svg
+| ImageFile      = Deuterovaný methanol.jpg
-| ImageFile_Ref = {{chemboximage|correct|??}}
+| ImageFileL1    = Deuterated methanol.svg
-| ImageSize = 121
+| ImageFileR1    = Methanol-d4 3D spacefill.png
-| ImageName = Stereo skeletal formula of deuterated methanol
+| ImageFile_Ref  = {{chemboximage|correct|??}}
-| Section1 = {{Chembox Identifiers
+| ImageSize      = 121
-|  CASNo = 811-98-3
+| ImageName      =
-|  PubChem = 71568
+| OtherNames     =
-|  PubChem_Ref = {{Pubchemcite|correct|pubchem}}
+| PIN            = (<sup>2</sup>H<sub>3</sub>)Methan(<sup>2</sup>H)ol
-|  ChemSpiderID = 64640
+| SystematicName =
-|  ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
+| Section1       = {{Chembox Identifiers
-|  EINECS = 212-378-6
-|  UNNumber = 1230
+| CASNo = 811-98-3
-|  Beilstein = 1733278
+| PubChem = 71568
+| ChEBI = 156265
-|  SMILES = [2H]OC([2H])([2H])[2H]
+| ChemSpiderID = 64640
-|  StdInChI = 1S/CH4O/c1-2/h2H,1H3/i1D3,2D
-|  StdInChI_Ref = {{stdinchicite|correct|chemspider}}
+| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
+| EINECS = 212-378-6
-|  StdInChIKey = OKKJLVBELUTLKV-MZCSYVLQSA-N
+| UNNumber = 1230
-|  StdInChI_Ref = {{stdinchicite|correct|chemspider}}
+| Beilstein = 1733278
-}}
+| SMILES = [2H]OC([2H])([2H])[2H]
-| Section2 = {{Chembox Properties
+| StdInChI = 1S/CH4O/c1-2/h2H,1H3/i1D3,2D
-|  Formula = C<sub>2</sub>H<sub>4</sub>O
+| StdInChIKey = OKKJLVBELUTLKV-MZCSYVLQSA-N
-|  MolarMass = 36.0665 g mol<sup>-1</sup>
+ }}
-|  ExactMass = 36.051321734 g mol<sup>-1</sup>
+| Section2       = {{Chembox Properties
-|  Density = 0.888 g cm<sup>-3</sup>
+| Formula = CD<sub>4</sub>O
-|  MeltingPtC = -98
+| MolarMass = 36.0665 g mol<sup>−1</sup>
-|  BoilingPtC = 65
+| Density = 0.888 g cm<sup>−3</sup>
-}}
+| MeltingPtC = -98
-| Section3 = {{Chembox Thermochemistry
+| BoilingPtC = 65
-|  HeatCapacity = 87.9 J K<sup>-1</sup> mol<sup>-1</sup>
-}}
+ }}
-| Section4 = {{Chembox Hazards
+| Section3       = {{Chembox Thermochemistry
+| HeatCapacity = 87.9 J K<sup>−1</sup> mol<sup>−1</sup>
-|  EUClass = {{Hazchem F}} {{Hazchem T}}
+ }}
-|  RPhrases = {{R11}}, {{R23/24/25}}, {{R39/23/24/25}}
+| Section4       = {{Chembox Hazards
-|  SPhrases = {{S7}}, {{S16}}, {{S36/37}}, {{S45}}
+| GHSPictograms = {{GHS02}}{{GHS06}}{{GHS08}}
-|  FlashPtC = 11
+| GHSSignalWord = Warning
-}}
+| HPhrases = {{H-phrases|225|301|311|331|370}}
-| Section5 = {{Chembox Related
+| PPhrases = {{P-phrases|210|233|240|241|242|243|260|261|264|270|271|280|301+310|302+352|303+361+353|304+340|307+311|311|312|321|322|330|361|363|370+378|403+233|403+235|405|501}}
-|  OtherCpds = [[Methanol]]
+| FlashPtC = 11
-}}
+ }}
+| Section5       = {{Chembox Related
+| OtherCompounds = [[Methanol]]
+ }}
+| Section6       =
 }}
-'''Deuterated methanol''' (CD<sub>3</sub>OD), is a form (called an [[isotopologue]]) of [[methanol]] (CH<sub>3</sub>OH) in which the [[hydrogen]] atom ("H") is replaced with [[deuterium]] (heavy hydrogen) [[isotope]] ("D"). Deuterated methanol is a common [[solvent]] used in [[NMR spectroscopy]].
+'''Deuterated methanol''' (CD<sub>3</sub>OD), is a form (called an [[isotopologue]]) of [[methanol]] (CH<sub>3</sub>OH) in which the [[hydrogen]] atoms ("H") are replaced with [[deuterium]] (heavy hydrogen) [[isotope]] ("D").<ref>{{Cite journal |last1=Bizzocchi |first1=L. |last2=Caselli |first2=P. |last3=Spezzano |first3=S. |last4=Leonardo |first4=E. |date=2014-09-01 |title=Deuterated methanol in the pre-stellar core L1544 |url=https://www.aanda.org/articles/aa/abs/2014/09/aa23858-14/aa23858-14.html |journal=Astronomy & Astrophysics |language=en |volume=569 |pages=A27 |doi=10.1051/0004-6361/201423858 |issn=0004-6361|doi-access=free |arxiv=1408.2491 |bibcode=2014A&A...569A..27B }}</ref> Deuterated methanol is a common [[solvent]] used in [[NMR spectroscopy]].
+Deuterated methanol was first detected in [[interstellar space]] was [[Orion-KL]] in 1988 by scientists at the [[Max Planck Institute for Radio Astronomy]].<ref>{{Cite journal |last1=Mauersberger |first1=R. |last2=Henkel |first2=C. |last3=Jacq |first3=T. |last4=Walmsley |first4=C. M. |date=1988-04-01 |title=Deuterated methanol in Orion. |url=https://ui.adsabs.harvard.edu/abs/1988A&A...194L...1M |journal=Astronomy and Astrophysics |volume=194 |pages=L1–L4 |bibcode=1988A&A...194L...1M |issn=0004-6361}}</ref>
-{{Organic-compound-stub}}
+== References ==
+{{Reflist}}
 {{List of NMR solvents}}
-[[Category:Deuterated solvent]]
+[[Category:Deuterated solvents]]
+[[Category:Methanol]]
+{{NMR-stub}}
+{{Organic-compound-stub}}

v t e Deuterated NMR solvents
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