CAS 2177-32-4

5-Methyl-1-hexen-3-one

Description:

5-Methyl-1-hexen-3-one, with the CAS number 2177-32-4, is an organic compound classified as a ketone. It features a six-carbon chain with a methyl group and a double bond, contributing to its unsaturated nature. This compound is characterized by its distinctive odor, which can be described as fruity or floral, making it of interest in the flavor and fragrance industries. Its molecular structure includes a carbonyl group (C=O) located at the third carbon, which is typical for ketones, influencing its reactivity and properties. 5-Methyl-1-hexen-3-one is typically a colorless to pale yellow liquid at room temperature and is soluble in organic solvents. It may undergo typical reactions associated with unsaturated ketones, such as addition reactions and oxidation. Safety data indicates that, like many organic compounds, it should be handled with care, as it may pose health risks if inhaled or ingested. Overall, its unique structure and properties make it a valuable compound in various chemical applications.

Formula: C₇H₁₂O

InChI: InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h4,6H,1,5H2,2-3H3

InChI key: InChIKey=CMXNFXBFNYHFAL-UHFFFAOYSA-N

SMILES: C(CC(C)C)(C=C)=O

Synonyms:

• 1-Hexen-3-one, 5-methyl-
• 5-Methyl-1-hexen-3-one
• 5-Methyl-3-oxo-1-hexene
• Isobutyl vinyl ketone
• Vinyl isobutyl ketone
• iso-Butyl vinyl ketone

iso-Butyl Vinyl Ketone (Stabilized with 1% BHT)

Controlled Product

CAS: 2177-32-4

Applications iso-Butyl Vinyl Ketone is a major component in the secretion of Iporangaia pustulosa and Neosadocus maximus.
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 Rocha, D.F., et. al. J. Nat. Prod., 74, 658 (2011)

Formula: C₇H₁₂O

Color and Shape: Neat

Molecular weight: 112.17

Ref: TR-B750170

Iso-butyl vinyl ketone (stabilized with BHT)

CAS: 2177-32-4

Versatile small molecule scaffold

Formula: C₇H₁₂O

Purity: Min. 95%

Molecular weight: 112.17 g/mol

Ref: 3D-CAA17732