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IUPAC name:
Salts of 2-ethylhexyl diphosphate esters with C16-18-(even numbered, saturated and unsaturated)-alkylamines

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C32H71[N+]O6[O-]P2
C40H87[N+]O6[O-]P2
C34H75[N+]O6[O-]P2
C42H91[N+]O6[O-]P2
Molecular weight:
>= 643 - <= 785
SMILES notation:
C16, sat. amine, mono-mono-POP: CCCCCCCCCCCCCCCC[NH3+].CCCCC(CC)COP(O)(=O)OP([O-])(=O)OCC(CC)CCCC
C16, sat. amine, mono-di-POP: CCCCCCCCCCCCCCCC[NH3+].CCCCC(CC)COP([O-])(=O)OP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
C18, sat. amine, mono-mono-POP: CCCCCCCCCCCCCCCCCC[NH3+].CCCCC(CC)COP(O)(=O)OP([O-])(=O)OCC(CC)CCCC
C18, sat. amine, mono-di-POP: CCCCCCCCCCCCCCCCCC[NH3+].CCCCC(CC)COP([O-])(=O)OP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
InChl:
C16, sat. amine, mono-mono-POP: InChI=1S/C16H35N.C16H36O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-5-9-11-15(7-3)13-21-24(17,18)23-25(19,20)22-14-16(8-4)12-10-6-2/h2-17H2,1H3;15-16H,5-14H2,1-4H3,(H,17,18)(H,19,20)
C16, sat. amine, mono-di-POP: InChI=1S/C24H52O7P2.C16H35N/c1-7-13-16-22(10-4)19-28-32(25,26)31-33(27,29-20-23(11-5)17-14-8-2)30-21-24(12-6)18-15-9-3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h22-24H,7-21H2,1-6H3,(H,25,26);2-17H2,1H3
C18, sat. amine, mono-mono-POP: InChI=1S/C18H39N.C16H36O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5-9-11-15(7-3)13-21-24(17,18)23-25(19,20)22-14-16(8-4)12-10-6-2/h2-19H2,1H3;15-16H,5-14H2,1-4H3,(H,17,18)(H,19,20)
C18, sat. amine, mono-di-POP: InChI=1S/C24H52O7P2.C18H39N/c1-7-13-16-22(10-4)19-28-32(25,26)31-33(27,29-20-23(11-5)17-14-8-2)30-21-24(12-6)18-15-9-3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h22-24H,7-21H2,1-6H3,(H,25,26);2-19H2,1H3
Structural formula:
Chemical structure

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