Bio-Based Polyols from Seed Oils for Water-Blown Rigid Polyurethane Foam Preparation
Table 4
The main structural components in synthesized seed oil-based polyols identified by ESI-MS in positive ionization mode.
Structure
Calculated mass
Observed mass detected in seed oil-based polyols
Sesame seed oil
Pumpkin seed oil
[M+H]
[M+Na]
[M+H]
[M+Na]
[M+H]
[M+Na]
Esters with triethanolamine
Monoester-C(16:0)
388.34
410.32
388.43
410.42
388.43
410.41
Monoester-C(18:0)
416.37
438.36
416.46
438.44
416.46
438.43
Monoester-C(18:0)-diol
448.36
470.35
448.45
470.42
448.44
470.41
Monoester-C(18:0)-tetraol –H2O
462.34
484.32
462.41
484.39
462.42
484.39
Diester-C(16:16:0)
626.57
648.55
626.69
—
626.69
—
Diester-C(16:18:0)
654.60
676.58
654.70
—
654.71
676.69
Diester-C(16:18:0)-diol
686.59
708.57
686.73
708.71
686.72
708.70
Diester-C(16:18:0)-tetraol –H2O
700.57
722.55
700.70
722.68
700.70
722.68
Diester-C(18:18:0)-diol
714.62
736.61
714.75
736.73
714.75
736.71
Diester-C(18:18:0)-tetraol
746.61
768.60
746.75
768.72
746.74
768.71
Diester-C(18:18:0)-tetraol –H2O
728.60
750.59
728.71
750.71
728.70
750.71
Diester-C(18:18:0)-hexaol
778.60
800.59
778.72
—
—
—
Diester-C(18:18:0)-hexaol –H2O
760.59
782.57
760.72
782.70
760.72
782.70
Diester-C(18:18:0)-octaol –2H2O
774.57
796.55
774.70
796.69
774.70
796.67
Esters with triglyceride
Monoglyceride-C(16:0)
331.28
353.27
—
353.32
—
353.32
Monoglyceride-C(18:0)
359.32
381.30
—
—
—
381.35
Monoglyceride-C(18:0)-diol
391.31
413.29
—
413.36
—
413.35
Monoglyceride-C(18:0)-tetraol –H2O
405.28
427.27
—
427.33
—
427.33
Diglyceride-C(16:16:0)
569.51
591.50
569.55
—
569.53
—
Diglyceride-C(16:18:0) –H2O
579.53
601.52
—
601.53
—
601.53
Diglyceride-C(16:18:2)
593.51
615.50
—
615.49
—
615.50
Diglyceride-C(16:18:0)-diol
629.53
651.52
—
651.54
—
—
C(:); , number of carbon atoms in fatty acid chain; , number of double bonds remaining in fatty acid chain. C(::); , number of carbon atoms in 1st fatty acid chain; , number of carbon atoms in 2nd fatty acid chain; and , number of double bonds remaining in fatty acid chain.
