1,4-Dibenzoylbutane

CAS: 3375-38-0

Ref. 3D-FD52527

Product Information

• Name: 1,4-Dibenzoylbutane
• Synonyms: 1,6-Diphenyl-1,6-hexanedione, 1,6-Diphenylhexane-1,6-Dione, 1,6-Hexanedione, 1,6-diphenyl-, Butane, 1,4-dibenzoyl-, NSC 105666, NSC 1159, NSC 22675

Description

1,4-Dibenzoylbutane is a pentane that is detectable by gas chromatography. It is used as a feedstock for the preparation of benzoic acid, which can be done in one step by oxidation of 1,4-dibenzoylbutane with hydrogen peroxide. The liquid chromatography (LC) separation of 1,4-dibenzoylbutane is achieved on a column containing silica gel or alumina as stationary phase and an organic solvent such as hexane or heptane as mobile phase. The yield for this process can be increased to about 97% by high-performance liquid chromatography (HPLC). Polymorphs of 1,4-dibenzoylbutane are obtained from the crystallization process at different temperatures.

• Brand: Biosynth

Chemical properties

• Molecular weight: 266.33 g/mol
• Formula: C₁₈H₁₈O₂
• Purity: Min. 95%
• Color/Form: White/Off-White Solid
• InChI: InChI=1S/C18H18O2/c19-17(15-9-3-1-4-10-15)13-7-8-14-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
• InChI key: InChIKey=VRBLNWVVFVBNRK-UHFFFAOYSA-N
• SMILES: O=C(CCCCC(=O)c1ccccc1)c1ccccc1