Structural analysis of 2,2,4-trimethyl-1,3-pentanediol monoisobutyrate using msFineAnalysis AI
Introduction
2,2,4-trimethyl-1,3-pentanediol monoisobutyrate (TMPMB) is used as an adjuvant in adhesives and paints. Furthermore, the amount to use as an alternative plasticizer has increased, since phthalate esters which were used as plasticizers have been restricted by the RoHS Directive. On the other hand, health hazards such as sick house syndrome have been reported due to increased exposure, so the Ministry of Health, Labor and Welfare is considering to restrict it. Thermal desorption (TD)-GC-MS method has been proposed as an analysis method, and an example of analysis using a quadrupole mass spectrometer JMS-Q1600GC was introduced in MSTips No. 435. Figure 1 shows the structural formula of TMPMB. It has two structural isomers, but only one is registered in the NIST library used for qualitative analysis. In this MSTips, we used a time-of-flight mass spectrometer JMS-T2000GC and unknown compounds structure analysis software msFineAnalysis AI to confirm whether the other structural formula could be obtained correctly.