CAS 4840-82-8

2-Hexanone-1,1,1,3,3-d5

Description:

2-Hexanone-1,1,1,3,3-d5 is a deuterated ketone, specifically a labeled form of 2-hexanone, which is a six-carbon chain molecule with a ketone functional group located at the second carbon. The presence of deuterium atoms (d5) indicates that five hydrogen atoms in the molecule have been replaced with deuterium, a stable isotope of hydrogen. This substitution alters the physical properties slightly, such as boiling point and density, compared to its non-deuterated counterpart. 2-Hexanone is typically a colorless liquid with a characteristic odor, and it is used as a solvent and in organic synthesis. The deuterated version is often utilized in NMR spectroscopy and other analytical techniques to study reaction mechanisms and molecular dynamics due to the distinct spectral properties of deuterium. Its CAS number, 4840-82-8, allows for easy identification in chemical databases. Overall, 2-Hexanone-1,1,1,3,3-d5 serves as a valuable tool in both research and industrial applications.

Formula: C₆H₇D₅O

InChI: InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3/i2D3,5D2

InChI key: InChIKey=QQZOPKMRPOGIEB-ZTIZGVCASA-N

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

Synonyms:

• 2-Hexanone-1,1,1,3,3-D_5_
• 2-Hexanone-1,1,1,3,3-d₅
• 2-Hexanone-1,1,1,3,3-d5
• (1,1,1,3,3-~2~H_5_)Hexan-2-one

2-Hexanone-1,1,1,3,3-d5

CAS: 4840-82-8

Formula: CH₃(CH₂)₂CD₂COCD₃

Purity: 98 atom % D

Color and Shape: Colorless Liquid

Molecular weight: 105.1202

Ref: 3U-D1632

2-Hexanone-1,1,1,3,3-d5

Controlled Product

CAS: 4840-82-8

Applications 2-Hexanone-1,1,1,3,3-d5 (CAS# 4840-82-8) is a useful isotopically labeled research compound.

Formula: C₆D₅H₇O

Color and Shape: Colourless

Molecular weight: 105.1202

Ref: TR-H294421