Ethanol-d6 (9CI)

Catalog Number	ACM1516081-1
CAS	1516-08-1
Structure
Synonyms	(2H6)Ethanol1,1,1,2,2-pentadeuterio-2-deuteriooxyethane1516-08-1AC1L2S81AKOS015903638C2-D6-OC2D6OCID102138CS-CE-00835CS-T-54280See more synonymsEINECS 216-162-2Ethanol D6Ethanol D6 >99%Ethanol-d6Ethanol-d6, 95% in D2O, 99 atom % DEthanol-d6, 99.96 atom % DEthanol-d6, anhydrous, >=99.5 atom % DEthanol-d6, for NMR, anhydrous, 99 atom % DEthanol-d6-Ethyl alcohol and water, 5%Ethyl alcohol-d6Ethyl-d5 alcohol-dEthyl-d5 alcohol-d, anhydrousFT-0625729HexadeuteroethanolI14-18340J-008826KS-00000VCSMFCD00051020[2H6]ethanol(~2~H_5_)ethan(~2~H)ol1,1,2,2,2-Pentadeuteroethanol-dDeuterioethanol-d6Deuteroethanol-d6Ethanol-d6Ethyl-d5 alcohol-dHexadeuterioethanolPerdeuterioethanolPerdeuteroethanol
Molecular Weight	52.1054
InChI	InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D
InChI Key	LFQSCWFLJHTTHZ-LIDOUZCJSA-N
Purity	99%
Storage	Room Temperature
Chemical Formula	C2D6O
MDL Number	MFCD00051020
Notes	This product is intended for laboratory use only, and it is not meant for human consumption. Complexity : 2.8. Compound Is Canonicalized : Yes. Covalently-Bonded Unit Count : 1. Defined Atom Stereocenter Count : 0. Defined Bond Stereocenter Count : 0. EC Number: 216-162-2. Exact Mass : 52.08g/mol. Formal Charge : 0. Heavy Atom Count : 3. Hydrogen Bond Acceptor Count : 1. Hydrogen Bond Donor Count : 1. IUPAC Name: 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane. Isotope Atom Count : 6. Monoisotopic Mass : 52.08g/mol. Rotatable Bond Count : 0. Topological Polar Surface Area : 20.2A^2. Undefined Atom Stereocenter Count : 0. Undefined Bond Stereocenter Count : 0. XLogP3 : -0.1.
Size	1g/5g
COA	Download COA

Case Study

Characterizing the Mechanism of Protein Stabilization by Ethanol-d6

Yang, Cui, et al. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 271 (2022): 120935.

Ethanol is known to maintain the native structure of proteins in freeze-dried formulations, but the mechanism was not fully understood. Human serum albumin (HSA) and ethanol, a prototypical hydroxyl compound, were used as model molecules to probe the mechanism of action of protein-solvent interactions. Ethanol-d6, deuterated ethanol, and D2O were used as the principal isotopic probes for IR spectroscopy. Circular dichroism (CD) and transmission electron microscopy (TEM) were used to validate the results.
Key Findings:
· Structural Preservation: IR spectroscopy revealed that ethanol increased α-helix and decreased the disordered structure in HSA.
· Hydrogen Bond Network Stabilization: Ethanol-d6 reinforced the H-bond network in the vicinity of HSA through water-mediated interactions, inhibiting intermolecular aggregation.
· Optimal Protection at Low Concentrations: CD and TEM validation showed that Ethanol-d6 at low concentrations was optimal for the preservation of the native state of HSA upon freeze-drying.
· Role of Hydration: The deuterated probe revealed water's function as a structural mediator, providing new insights into protein-solvent interactions.

Validating Microbial Metabolic Engineering with Ethanol-d6

Cao, Yujin, et al. Journal of Biological Research-Thessaloniki 27.1 (2020): 1.

Engineering a microbe to produce a value-added chemical from ethanol required proof that the biochemical conversion was occurring. Ethanol-d6 was used to provide the needed evidence. The deuterated ethanol was used in place of normal ethanol in fermentation with the engineered E. coli. MS of the mevalonic acid lactone product from ethanol-d6 fermentation can be used to determine if deuterium is incorporated, and prove beyond a shadow of a doubt that carbon atoms from ethanol are present in the product.
Key Findings:
Using Ethanol-d6 yielded conclusive metabolic validation:
· Pathway Confirmation: MS analysis of mevalonic acid lactone produced from Ethanol-d6 showed a +10 Da shift in the molecular ion peak (from m/z 130 to 140), confirming extensive deuterium incorporation.
· Fragment Analysis: Key fragment ions shifted from m/z 43 to 45 and m/z 71 to 79, directly demonstrating the incorporation of deuterium from Ethanol-d6 into the mevalonic acid backbone.
· Carbon Source Attribution: The deuterium labeling pattern proved that ethanol was converted into mevalonic acid. The partial hydrogen retention in m/z 43, 75, 77, fragments, could be due to other carbon sources (some remnant glucose for example).

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Ethanol-d6 (9CI) (1516-08-1)

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