Tris(2-ethylhexyl) phosphate(78-42-2) IR2
Product NameTris(2-ethylhexyl) phosphate
CAS78-42-2
Molecular FormulaC24H51O4P
Molecular Weight434.63
InChIInChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
InChIKey GTVWRXDRKAHEAD-UHFFFAOYSA-N
SmilesP(OCC(CC)CCCC)(OCC(CC)CCCC)(OCC(CC)CCCC)=O
-
MassMS-NW-1786 tris(2-ethylhexyl) phosphate C24H51O4P (Mass of molecular ion: 434)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
27.0 1.3 29.0 3.7 41.0 8.0 42.0 1.6 43.0 9.1 55.0 8.9 56.0 2.8 57.0 15.7 67.0 1.0 69.0 6.2 70.0 5.5 71.0 11.1 83.0 3.2 84.0 1.0 99.0 100.0 111.0 1.7 112.0 4.2 113.0 24.6 114.0 2.2 211.0 14.1 212.0 1.3 323.0 13.5 324.0 2.5
400 MHz in CDCl3
-
1H NMR 399.65 MHz C24 H51 O4 P 0.05 ml : 0.5 ml CDCl3 tris(2-ethylhexyl) phosphate 
Assign. Shift(ppm)
A 3.94 B 1.569 C 1.40 D 1.34 E 1.29 F 0.902 G 0.897
Hz ppm Int.1586.55 3.970 38 1582.15 3.959 176 1580.44 3.955 178 1576.66 3.946 315 1574.83 3.941 311 1571.04 3.932 173 1569.21 3.927 169 1564.94 3.916 39 634.40 1.588 48 628.42 1.573 69 622.80 1.559 62 617.19 1.545 31 581.79 1.456 32 575.56 1.441 58 574.34 1.438 43 567.99 1.422 126 566.77 1.419 61 561.52 1.406 124 560.42 1.403 154 559.08 1.399 118 553.96 1.387 134 552.73 1.384 156 551.64 1.381 135 548.83 1.374 48 545.29 1.365 153 538.94 1.349 110 537.96 1.347 115 536.25 1.342 72 531.37 1.330 172 524.05 1.312 269 519.78 1.301 310 517.21 1.295 442 514.16 1.287 224 507.81 1.271 81 368.16 0.922 513 365.11 0.914 212 360.72 0.903 1000 358.52 0.898 593 353.15 0.884 490
in CDCl3
CCl4 solution
liquid film
