Methyl 4-acetyl-5-oxohexanoate

CAS: 13984-53-7

Ref. 3D-FM135243

Product Information

• Name: Methyl 4-acetyl-5-oxohexanoate
• Synonyms: hexanoic acid, 4-acetyl-5-oxo-, methyl ester, methyl (4E)-4-acetyl-5-hydroxyhex-4-enoate

Description

Methyl 4-acetyl-5-oxohexanoate is a compound that belongs to the group of pyrrole derivatives. It is insoluble in water and has been shown to have cytotoxic effects on cells. Methyl 4-acetyl-5-oxohexanoate has been reported to be an effective prebiotic, which is defined as a selectively fermented ingredient that allows specific changes, both in the composition and/or activity in the gastrointestinal microbiota that confers benefits upon host well-being and health. Methyl 4-acetyl-5-oxohexanoate has also been synthesised by reacting pyrrole with acetaldehyde and formaldehyde. The molecular weight of methyl 4-acetyl-5-oxohexanoate is 184.8 g mol−1, with a melting point of 195 °C (383 °F). The molecule has a single crystal x ray diffraction pattern with diffraction angles of 2θ = 10

• Brand: Biosynth

Chemical properties

• Molecular weight: 186.21 g/mol
• Formula: C₉H₁₄O₄
• Purity: Min. 95%
• InChI: InChI=1S/C9H14O4/c1-6(10)8(7(2)11)4-5-9(12)13-3/h8H,4-5H2,1-3H3
• InChI key: InChIKey=XFUDNZLAPUHONL-UHFFFAOYSA-N
• SMILES: COC(=O)CCC(C(C)=O)C(C)=O