Potential application of essential and fat oils of Myristica Argentea Warb for pharmacochemical industry and green energy production: experiment and modeling

The isolation and identification of the chemical composition of Myristica argentea Warb (M. argentea) from Moluccas Island have been made in the present work. A steam distillation method was provided to isolate its essential oil. It shows that the presentation of M. argentea was 1.62% and 3.26% (% w/w) in mace and seed, respectively. GC-FID and GC–MS analysis was provided to identify its chemical compositions. The result shows that the main components contained in the M. argentea were safrole (49.06–62.25% and 15.04–18.12% of mace and seed, respectively), followed by sabinene (20.18–26.32% and 15.04–18.12% of mace and seed, respectively), α-terpinene (4.14–6.25% and 4.49–10.85% of mace and seed, respectively), and β-phellandrene (5.84–8.85% and 10.41–11.07% of mace and seed, respectively). The results indicate that the potential use of essential oil of M. argentea from Moluccas Island is a potential source of safrole which has many applications in pharmacochemical industries, and thus, the economic value of M. argentea can significantly be increased. In the present study, applications of essential and fat oils from M. argentea have been proposed in two applications. First, the application of safrole and its derivative components as antibacterial and anti-inflammatory by in silico study using Autodock platform. Second, trimyristin as the main component in fat oil of M. argentea is successfully converted into biokerosene by simulation and modeling study using Aspen Plus®. Graphical abstract: [Figure not available: see fulltext.]