Pentasodium nitrilotris(methylenephosphonate)

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2235-43-0

    Molecular formula
    C3H7NNa5O9P3

    SMILES
    C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)(O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 74.28%
    Sweet 29.82%
    Savory 17.29%
    Clean 15.6%
    Fishy 14.23%
    Bitter 13.37%
    Cooling 13.26%
    Alcoholic 13.11%
    Oily 12.19%
    Balsamic 11.36%

     

    Flavor
    Odorless 63.84%
    Bland 28.15%
    Mild 27.1%
    Very mild 21.12%
    Yeast 19.97%
    Sweet-like 19.8%
    Faint 18.88%
    Mousy 18.28%
    Rotten 17.92%
    Formyl 17.79%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    -5.33 (strong acid)

    Molecular weight
    408.96 g/mol

    Flash point

    • 343.16 ˚C est.

  • Synonyms

    • 2235-43-0
    • Kenrox 106
    • Pentasodium aminotrimethylene phosphonate
    • [Nitrilotris(methylene)]tris-phosphonic acid pentasodium salt
    • PENTASODIUM NITRILOTRIS(METHYLENEPHOSPHONATE)
    • HSDB 5870
    • EINECS 218-791-8
    • UNII-IEE518JT88
    • DTXSID8029232
    • Pentasodium aminotris(methylenephosphonate)
    • Aminotris(methylphosphonic acid), pentasodium salt
    • Aminotris(methylenephoshonic acid) pentasodium salt
    • Nitrilo(methylenephosphonic acid), pentasodium salt
    • Aminotri(methylene phosphonic acid) pentasodium salt
    • Aminotri(methylenephosphonic acid), pentasodium salt
    • Nitrilotri(methylenephosphonic acid), pentasodium salt
    • Nitrilotris(methylenephosphonic acid) pentasodium salt
    • DTXCID009232
    • Pentasodium (nitrilotris(methylene))trisphosphonate
    • AMINOTRIS(METHYLENEPHOSPHONIC ACID) PENTASODIUM SALT
    • PENTASODIUM NITRILOTRIS(METHYLENEPHOSPHONATE) [HSDB]
    • (NITRILOTRIS(METHYLENE))TRIS-PHOSPHONIC ACID PENTASODIUM SALT
    • Phosphonic acid, P,P',P''-(nitrilotris(methylene))tri-, sodium salt (1:5)
    • ATMP5Na
    • RefChem:171472
    • PENTASODIUM AMINOTRIMETHYLENE PHOSPHONATE [INCI]
    • Phosphonic acid, (nitrilotris(methylene))tri, pentasodium salt
    • Phosphonic acid, (nitrilotris(methylene))tris, pentasodium salt
    • 218-791-8
    • Phosphonic acid, (nitrilotris(methylene))tris-, pentasodium salt
    • Phosphonic acid, [nitrilotris(methylene)]tris-, pentasodium salt
    • Dequest 2006
    • Pentasodium aminotris(methylphosphonic acid)
    • Pentasodium(nitrilotris(methylene))triphosphonate
    • IEE518JT88
    • pentasodium;[bis(phosphonatomethyl)amino]methyl-hydroxyphosphinate
    • Phosphonic acid, (nitrilotris(methylene))tri-, pentasodium salt
    • Aminotri(methylenephosphonic acid) pentasodium salt
    • C3H7NNa5O9P3
    • Pentasodium hydrogen C,C',C''-nitrilotris(methylphosphonate)
    • SCHEMBL10655885
    • OSBMVGFXROCQIZ-UHFFFAOYSA-I
    • pentasodium,[bis(phosphonatomethyl)amino]methyl-hydroxyphosphinate
    • Tox21_303716
    • AKOS015899662
    • NCGC00357030-01
    • FN153153
    • CAS-2235-43-0
    • NS00082877
    • Q27280691
    • [Nitrilotris(methylene)]trisphosphonic acid pentasodium salt
    • pentasodium;[bis(phosphonatomethyl)amino]methyl-hydroxy-phosphinate
    • [nitrilotris(methylene)]tris-phosphonic acid pentasodium salt, AldrichCPR
    • [Nitrilotris(methylene)]tris-phosphonic acid pentasodiumsalt - 38.0 to 42.0%, in water
    • Pentasodium [{[(hydroxyphosphinato)methyl]azanediyl}bis(methylene)]bis(phosphonate)
    • Phosphonic acid, P,P',P''-(nitrilotris(methylene))tris-, sodium salt (1:5)
    • 2235-43-0

  • Applications

    Pentasodium nitrilotris(methylenephosphonate) (CAS 2235-43-0) is widely used as a chelating/sequestering agent and as a scale and corrosion inhibitor in various process streams. In detergents and cleaning formulations, it sequesters calcium and magnesium ions to soften water and improve cleaning performance. In industrial water treatment, it serves as a corrosion and scale inhibitor for cooling water and boiler systems, helping control hardness and metal ion deposition. In metal finishing and electroplating, it acts as a complexing agent to keep metal ions in solution and stabilize baths. In coatings and inks, it functions as a dispersant and chelating agent to stabilize pigments and prevent metal-catalyzed degradation. In papermaking, it can help prevent mineral scaling and improve dispersion of fillers, contributing to process control.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.03
    methanol 9.45
    isopropanol 1.57
    water 38.0
    ethyl acetate 3.04
    n-propanol 2.17
    acetone 6.2
    n-butanol 1.51
    acetonitrile 3.64
    DMF 64.36
    toluene 1.92
    isobutanol 1.22
    1,4-dioxane 2.57
    methyl acetate 3.02
    THF 7.67
    2-butanone 3.44
    n-pentanol 0.78
    sec-butanol 1.3
    n-hexane 0.12
    ethylene glycol 16.29
    NMP 134.11
    cyclohexane 0.27
    DMSO 78.89
    n-butyl acetate 3.61
    n-octanol 0.98
    chloroform 0.53
    n-propyl acetate 1.83
    acetic acid 10.59
    dichloromethane 1.33
    cyclohexanone 5.76
    propylene glycol 11.78
    isopropyl acetate 2.08
    DMAc 48.31
    2-ethoxyethanol 8.26
    isopentanol 0.96
    n-heptane 0.49
    ethyl formate 4.35
    1,2-dichloroethane 1.58
    n-hexanol 1.99
    2-methoxyethanol 28.17
    isobutyl acetate 0.78
    tetrachloromethane 0.17
    n-pentyl acetate 2.1
    transcutol 18.0
    n-heptanol 1.56
    ethylbenzene 0.6
    MIBK 1.95
    2-propoxyethanol 18.08
    tert-butanol 1.52
    MTBE 0.68
    2-butoxyethanol 8.43
    propionic acid 6.1
    o-xylene 2.04
    formic acid 46.14
    diethyl ether 1.16
    m-xylene 1.75
    p-xylene 0.65
    chlorobenzene 0.89
    dimethyl carbonate 10.23
    n-octane 0.15
    formamide 66.14
    cyclopentanone 12.69
    2-pentanone 3.57
    anisole 1.53
    cyclopentyl methyl ether 4.13
    gamma-butyrolactone 24.65
    1-methoxy-2-propanol 19.63
    pyridine 4.88
    3-pentanone 3.4
    furfural 36.99
    n-dodecane 0.09
    diethylene glycol 35.73
    diisopropyl ether 0.53
    tert-amyl alcohol 1.33
    acetylacetone 8.56
    n-hexadecane 0.1
    acetophenone 4.22
    methyl propionate 6.69
    isopentyl acetate 2.08
    trichloroethylene 2.04
    n-nonanol 1.02
    cyclohexanol 1.72
    benzyl alcohol 2.6
    2-ethylhexanol 1.22
    isooctanol 0.91
    dipropyl ether 2.19
    1,2-dichlorobenzene 1.11
    ethyl lactate 6.91
    propylene carbonate 10.15
    n-methylformamide 32.77
    2-pentanol 1.03
    n-pentane 0.21
    1-propoxy-2-propanol 12.13
    1-methoxy-2-propyl acetate 10.03
    2-(2-methoxypropoxy) propanol 9.56
    mesitylene 1.17
    ε-caprolactone 7.03
    p-cymene 1.24
    epichlorohydrin 7.65
    1,1,1-trichloroethane 0.44
    2-aminoethanol 14.26
    morpholine-4-carbaldehyde 54.87
    sulfolane 68.2
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 2.84
    n-hexyl acetate 1.97
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 10.47
    sec-butyl acetate 1.05
    tert-butyl acetate 2.2
    decalin 0.12
    glycerin 48.09
    diglyme 17.09
    acrylic acid 13.23
    isopropyl myristate 0.9
    n-butyric acid 5.02
    acetyl acetate 2.54
    di(2-ethylhexyl) phthalate 1.95
    ethyl propionate 2.59
    nitromethane 24.35
    1,2-diethoxyethane 2.26
    benzonitrile 2.46
    trioctyl phosphate 1.61
    1-bromopropane 0.57
    gamma-valerolactone 28.23
    n-decanol 0.81
    triethyl phosphate 2.59
    4-methyl-2-pentanol 0.58
    propionitrile 2.06
    vinylene carbonate 10.29
    1,1,2-trichlorotrifluoroethane 19.07
    DMS 4.41
    cumene 0.45
    2-octanol 0.73
    2-hexanone 1.48
    octyl acetate 1.43
    limonene 1.54
    1,2-dimethoxyethane 6.53
    ethyl orthosilicate 1.99
    tributyl phosphate 1.68
    diacetone alcohol 6.73
    N,N-dimethylaniline 2.49
    acrylonitrile 5.41
    aniline 3.33
    1,3-propanediol 8.45
    bromobenzene 0.69
    dibromomethane 0.75
    1,1,2,2-tetrachloroethane 1.79
    2-methyl-cyclohexyl acetate 2.28
    tetrabutyl urea 4.24
    diisobutyl methanol 0.82
    2-phenylethanol 3.68
    styrene 0.63
    dioctyl adipate 1.95
    dimethyl sulfate 31.24
    ethyl butyrate 3.43
    methyl lactate 24.7
    butyl lactate 6.18
    diethyl carbonate 2.24
    propanediol butyl ether 8.36
    triethyl orthoformate 2.85
    p-tert-butyltoluene 1.24
    methyl 4-tert-butylbenzoate 6.94
    morpholine 5.03
    tert-butylamine 0.75
    n-dodecanol 0.62
    dimethoxymethane 19.22
    ethylene carbonate 5.81
    cyrene 20.14
    2-ethoxyethyl acetate 4.16
    2-ethylhexyl acetate 1.72
    1,2,4-trichlorobenzene 1.42
    4-methylpyridine 4.42
    dibutyl ether 0.68
    2,6-dimethyl-4-heptanol 0.82
    DEF 10.52
    dimethyl isosorbide 20.09
    tetrachloroethylene 1.35
    eugenol 10.13
    triacetin 5.38
    span 80 7.49
    1,4-butanediol 3.0
    1,1-dichloroethane 0.55
    2-methyl-1-pentanol 0.54
    methyl formate 22.68
    2-methyl-1-butanol 1.12
    n-decane 0.15
    butyronitrile 1.48
    3,7-dimethyl-1-octanol 0.75
    1-chlorooctane 0.37
    1-chlorotetradecane 0.2
    n-nonane 0.14
    undecane 0.11
    tert-butylcyclohexane 0.08
    cyclooctane 0.22
    cyclopentanol 2.77
    tetrahydropyran 1.36
    tert-amyl methyl ether 1.08
    2,5,8-trioxanonane 15.35
    1-hexene 0.26
    2-isopropoxyethanol 3.7
    2,2,2-trifluoroethanol 12.09
    methyl butyrate 3.19

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction