CAS 53389-25-6

3-Pentanone-1,1,1,3,3,3-d6

Description:

3-Pentanone-1,1,1,3,3,3-d6 is a deuterated form of 3-pentanone, a ketone with the molecular formula C5H10O. The "d6" indicates that six hydrogen atoms in the molecule have been replaced with deuterium, a stable isotope of hydrogen. This substitution alters the physical properties of the compound, such as its boiling point and density, compared to its non-deuterated counterpart. 3-Pentanone is a colorless liquid with a characteristic odor, commonly used as a solvent and in organic synthesis. The presence of deuterium makes this compound particularly useful in NMR spectroscopy and other analytical techniques, as it can help in studying reaction mechanisms and molecular dynamics. The CAS number 53389-25-6 uniquely identifies this specific isotopologue, facilitating its recognition in scientific literature and databases. Overall, 3-Pentanone-1,1,1,3,3,3-d6 serves as a valuable tool in both research and industrial applications, particularly in fields requiring precise isotopic labeling.

Formula: C₅H₄D₆O

InChI: InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3/i1D3,2D3

InChI key: InChIKey=FDPIMTJIUBPUKL-WFGJKAKNSA-N

SMILES: C(CC([2H])([2H])[2H])(CC([2H])([2H])[2H])=O

Synonyms:

• 3-Pentanone-1,1,1,3,3,3-d6
• 3-Pentanone-1,1,1,5,5,5-d6

3-Pentanone-1,1,1,5,5,5-d6

CAS: 53389-25-6

Formula: CD₃CH₂COCH₂CD₃

Purity: 98 atom % D

Color and Shape: Colorless Liquid.

Molecular weight: 92.11083

Ref: 3U-D6555

3-Pentanone-d6

Controlled Product

CAS: 53389-25-6

Applications 3-Pentanone-d6 is labelled 3-Pentanone (P273600) which is a simple, symmetrical dialkyl ketone. It is mainly used as a solvent in paint and a precursor to vitamin E. It is a useful synthetic intermediate. It can be used as a reagent to synthesize Ethyl 2-Cyano-3,3-diethylacrylate (E907600) by Knoevenagel condensation. It also shows anticonvulsant effect in several types of mouse seizure models.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Hasebe, N., et al.: Eur. J. Pharma., 642, 66 (2010); Siegel, H., et al.: Ullmann's Encyclopedia of Industrial Chemistry, (2002)

Formula: C₅₂H₆H₄O

Color and Shape: Neat

Molecular weight: 92.17

Ref: TR-P273602