CAS 10412-98-3

5-oxohexanenitrile

Description:

5-Oxohexanenitrile, with the CAS number 10412-98-3, is an organic compound characterized by its functional groups, which include a nitrile and a ketone. It features a six-carbon chain (hexane) with a carbonyl group (C=O) at the fifth position and a cyano group (C≡N) at the terminal position. This compound is typically a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is soluble in organic solvents and may exhibit moderate polarity due to the presence of the nitrile and carbonyl groups. 5-Oxohexanenitrile can participate in various chemical reactions, including nucleophilic additions and condensation reactions, making it a useful intermediate in organic synthesis. Its reactivity and functional groups suggest potential applications in pharmaceuticals, agrochemicals, and materials science. As with many nitriles, it may pose health risks if inhaled or ingested, necessitating appropriate safety precautions during handling and use.

Formula: C₆H₉NO

InChI: InChI=1/C6H9NO/c1-6(8)4-2-3-5-7/h2-4H2,1H3

InChI key: InChIKey=AEVMBQIIZGKQRB-UHFFFAOYSA-N

SMILES: C(CCC#N)C(C)=O

Synonyms:

• 4-Acetylbutyronitrile
• 5-Ketohexanenitrile
• 5-Oxohexanonitrile
• Hexanenitrile, 5-oxo-
• Ketohexanenitrile
• Methyl 3-cyanopropylketone
• γ-Acetobutyronitrile
• 5-Oxohexanenitrile
• Einecs 233-884-3
• 5-oxo-hexanenitril
• 5-KETOHEXANENITRILE 95+%
• 5-Cyano-2-pentanone
• .gamma.-Acetobutyronitrile
• γ-Acetylbutyronitrile

5-Ketohexanenitrile

CAS: 10412-98-3

Formula: C₆H₉NO

Purity: >98.0%(GC)

Color and Shape: Colorless to Light yellow clear liquid

Molecular weight: 111.14

Ref: 3B-K0029

5-Oxohexanenitrile

CAS: 10412-98-3

Formula: C₆H₉NO

Purity: 98%

Color and Shape: Liquid

Molecular weight: 111.1418

Ref: IN-DA003MTP

5-Ketohexanenitrile

CAS: 10412-98-3

5-Ketohexanenitrile

Purity: 98%

Molecular weight: 111.14g/mol

Ref: 54-OR924589

5-Oxohexanenitrile

CAS: 10412-98-3

Formula: C₆H₉NO

Purity: 98%

Color and Shape: Liquid

Molecular weight: 111.144

Ref: 10-F095045

5-Ketohexanenitrile

CAS: 10412-98-3

5-Ketohexanenitrile is a liquid that is used in the production of medicine. The compound has been shown to be an effective inhibitor of the enzyme, dehydrogenase, which catalyzes the conversion of 5-ketohexanoic acid to hexadecanoic acid. This reaction is important for the oxidation of fatty acids and can be found in all living organisms. 5-Ketohexanenitrile has also been shown to inhibit the enzyme, hydrogen peroxide oxidase, which catalyzes the conversion of hydrogen peroxide to water and oxygen gas. 5-Ketohexanenitrile is also an intermediate in acrylonitrile production. It can be produced by vaporizing hexadecanoic acid with a catalyst such as trimethylpyridine or acetic acid. 5-Ketohexanenitrile can exist as two isomers: cis and trans. It is a primary amine that reacts with alkali metals such as

Formula: C₆H₉NO

Purity: Min. 95%

Molecular weight: 111.14 g/mol

Ref: 3D-KAA41298