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Acetone-d6

CAT: 1459-CS-T-46994Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-46994Size:1 Each
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Description
Acetone-d6 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Ketone. The product is supplied by Clearsynth under CAT No. CS-T-46994. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Isotope labelled Acetone is a common organic building block in organic chemistry. 1.Used as a solvent in NMR (Nuclear Magnetic Resonance) spectroscopy to provide a deuterated environment. Involved in the synthesis of Methyl methacrylate D8. Synthesis of labelled sterols. Photoelectric deuterium modification.
CAS Number
666-52-4
Synonyms
Acetone-d6
Molecular Formula
C 3 D 6 O
Molecular Weight
64.12
Additionnal Information
Acetone-d6 is supplied with detailed characterization data compliant with regulatory guideline. Acetone-d6 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Ketone.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Isotope labelled Acetone is a common organic building block in organic chemistry. 1.Used as a solvent in NMR (Nuclear Magnetic Resonance) spectroscopy to provide a deuterated environment. Involved in the synthesis of Methyl methacrylate D8. Synthesis of labelled sterols. Photoelectric deuterium modification.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Acetone-D6

Acetone d6 is a deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium. It has a role as a NMR solvent and a polar aprotic solvent. It is a member of propanones and a deuterated compound.

CAS Number666-52-4
PubChem CID522220
IUPAC Name1,1,1,3,3,3-hexadeuteriopropan-2-one
Molecular FormulaC3H6O
Molecular Weight64.12
XLogP-0.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count4
Formal Charge0
Complexity26
SMILES
[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
InChI
InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
InChIKey
CSCPPACGZOOCGX-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Acetone-D6
CAS: 666-52-4
CID: 522220
Formula: C3H6O
MW: 64.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight64.12
XLogP3-0.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass64.079525286
Monoisotopic Mass64.079525286
Topological Polar Surface Area17.1 Ų
Heavy Atom Count4
Formal Charge0
Complexity26.3
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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