In this work, an endeavor was made to determine the impact of the tool’s shoulder diameter, pin profile, rotational and traverse speeds on the mechanical properties of the friction stir welded namely Ti–6Al–4V alloy joints. A total of 21 experiments were carried out based on the central composite design (CCD) concept of response surface methodology (RSM). A quadratic regression based numerical model was formulated to ascertain the relationship amidst the parameters of FSW process and the mechanical properties of the fabricated Ti alloy joints. Analysis of variance (ANOVA) was employed to confirm the importance of parameters and their interactive impacts. Optimized process parameter combinations were ascertained by grey relation based analysis (GRA) was coupled together with principal component analysis (PCA), a hybrid based approach. Single score of GRG based response was determined and GRG scores were ranked for all experiments. 1st rank was attained by the experiment no. 20 possessing a GRG score of 2.9989. Optimized values of 25mm shoulder diameter having a taper cylindrical pin geometry employed at a tool traverse speed of 40 mm/min, rotational speed of 1400 rpm resulted in the generation of flaw free Ti alloy joint possessing a largest tensile strength of 809.8 MPa, yield strength of 778.7 MPa and percentage of elongation of 6.9%. SEM based fractography ofTi alloy joint specimens announced that taper cylindrical pin geometry along with 25m shoulder diameter of employed tool have an inevitable part in generating frictional heat in ideal volumes and a perfect stirring action during FSW process.