CAS 4840-81-7

4-methyl-2-pentanone-1,1,1,3,3-D5

Description:

4-Methyl-2-pentanone-1,1,1,3,3-D5, also known as deuterated 4-methyl-2-pentanone, is a ketone characterized by the presence of a five-carbon chain with a methyl group and a carbonyl group. The "D5" in its name indicates that five hydrogen atoms in the molecule have been replaced with deuterium, a stable isotope of hydrogen, which is often used in NMR spectroscopy and other analytical techniques to trace molecular behavior. This compound typically exhibits a polar nature due to the carbonyl group, which influences its solubility in various solvents. Its boiling point and other physical properties may differ from its non-deuterated counterpart due to the isotopic substitution. 4-Methyl-2-pentanone is commonly utilized as a solvent and in organic synthesis, while the deuterated version serves specialized roles in research, particularly in studies involving isotopic labeling. Safety data should be consulted for handling, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₆H₇D₅O

InChI: InChI=1/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3/i3D3,4D2

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

Synonyms:

• 2-Pentanone, 4-methyl-1,1,1,3,3-d5-
• 4-methyl(1,1,1,3,3-~2~H_5_)pentan-2-one

4-Methyl-2-pentanone-1,1,1,3,3-d5

CAS: 4840-81-7

Formula: (CH₃)₂CHCD₂COCD₃

Purity: 98 atom % D

Color and Shape: Colorless Liquid

Molecular weight: 105.1202

Ref: 3U-D3864

4-Methyl-2-pentanone-d5

Controlled Product

CAS: 4840-81-7

Applications 4-Methyl-2-pentanone-d5 is the isotope labelled analog of 4-Methyl-3-pentanone (M328025), a reactant used to synthesize 2-(1-Hydroxy-3-methylbutylidene)-1H-indene-1,3(2H)-dione (H953650).
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 Fodor, C., et al.: Tetrahedron. Lett., 43, 3789 (2002);

Formula: C₆₂H₅H₇O

Color and Shape: Neat

Molecular weight: 105.19

Ref: TR-M328027