Sodium salts of [[(phosphonomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonic acid (1-3 Na:1)

Substance identity

Identification

Display Name:

octasodium hydrogen ({[2-({2-[(hydrogen phosphonatomethyl)(phosphomethyl)amino]ethyl}(phosphonomethyl)amino)ethyl](phosphonomethyl)amino}methyl)phosphonate hydrogen ({[2-({2-[bis(phosphonomethyl)amino]ethyl}(phosphonomethyl)amino)ethyl](phosphonomethyl)amino}methyl)phosphonate hydrogen [({2-[bis(phosphonomethyl)amino]ethyl}({2-[(hydrogen phosphonatomethyl)amino]ethyl})amino)methyl]phosphonate hydrogen {[(hydrogen phosphonatomethyl)[2-({2-[(hydrogen phosphonatomethyl)(phosphonomethyl)amino]ethyl}(phosphonomethyl)amino)ethyl]amino]methyl}phosphonate

EC Number:

701-215-9

Molecular formula:

DTPMP-1Na C9H27N3NaO15P5 DTPMP-2Na C9H26N3Na2O15P5 DTPMP-3Na C9H25N3Na3O15P5 The molecular weight range for DTPMP (1-3Na) is 594.17 to 639.14 g/mol. However, for the assessment of human exposure, the lower molecular weight must correspond to the acidic form (i.e. parent DTPMP-H, 573.20 g/mol) of the salt.

IUPAC Name:

octasodium hydrogen ({[2-({2-[(hydrogen phosphonatomethyl)(phosphomethyl)amino]ethyl}(phosphonomethyl)amino)ethyl](phosphonomethyl)amino}methyl)phosphonate hydrogen ({[2-({2-[bis(phosphonomethyl)amino]ethyl}(phosphonomethyl)amino)ethyl](phosphonomethyl)amino}methyl)phosphonate hydrogen [({2-[bis(phosphonomethyl)amino]ethyl}({2-[(hydrogen phosphonatomethyl)amino]ethyl})amino)methyl]phosphonate hydrogen {[(hydrogen phosphonatomethyl)[2-({2-[(hydrogen phosphonatomethyl)(phosphonomethyl)amino]ethyl}(phosphonomethyl)amino)ethyl]amino]methyl}phosphonate

Type of Substance

Composition:

UVCB

Origin:

organic

Substance Identifiers

EC number

244-751-4

CAS number

22042-96-2

Compositions

Boundary Composition(s)

DTPMP (1-3Na)

State Form:

solid: bulk

Constituent 1

Reference substance name:

Diethylenetriaminemethyl trimethylene phosphonic acid, trisodium salt

Molecular formula:

C8H21N3Na3O9P3

IUPAC Name:

Diethylenetriaminemethyl trimethylene phosphonic acid, trisodium salt

Constituent 2

Reference substance name:

Diethylenetriamine tetramethylene phosphonic acid, disodium salt

Molecular formula:

C8H23N3Na2O12P4

IUPAC Name:

Diethylenetriamine tetramethylene phosphonic acid, disodium salt

Constituent 3