Sodium aminotris(methylenephosphonate)

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  • Identifiers

    CAS number
    20592-85-2

    Molecular formula
    C3H11NNaO9P3

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 73.87%
    Sweet 24.72%
    Clean 18.18%
    Savory 16.69%
    Sour 14.37%
    Fishy 13.35%
    Alcoholic 13.27%
    Bitter 13.01%
    Cooked 12.67%
    Sharp 12.45%

     

    Flavor
    Odorless 71.0%
    Mild 30.87%
    Bland 28.09%
    Sour 26.47%
    Very mild 23.36%
    Yeast 21.65%
    Sweet-like 20.35%
    Faint 19.97%
    Formyl 19.13%
    Soy 18.99%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    0.21 (strong acid)

    Molecular weight
    321.03 g/mol

    Flash point

    • 399.87 ˚C est.

  • Synonyms

    • 20592-85-2
    • Sodium aminotris(methylenephosphonate)
    • 9HON9B633X
    • Sodium nitrilotrimethylenephosphonate
    • Tris(phosphonomethyl)amine sodium salt
    • UNII-9HON9B633X
    • Sodium(nitrilotris(methylene))trisphosphonate
    • 1884388-64-0
    • Phosphonic acid, (nitrilotris(methylene))tris-, sodium salt
    • Nitrilotri(methylenephosphonic acid) sodium salt
    • Phosphonic acid, [nitrilotris(methylene)]tris-, sodium salt
    • EINECS 243-900-0
    • Phosphonic acid, P,p',p''-(nitrilotris(methylene))tris-, sodium salt (1:1)
    • EC 243-900-0
    • RefChem:183778
    • Aminotri(methylene phosphonic acid), sodium salt
    • Nitrilotris(methylene phosphonic acid), sodium salt
    • Phosphonic acid, (nitrilotris(methylene))tri-, sodium salt
    • Sodium (nitrilotris(methylene))tris(phosphonate)
    • Aminotrimethylenephosphonic acid sodiumsalt
    • AMINO TRI(METHYLENE PHOSPHONIC ACID), SODIUM SALT
    • Amino(trimethylenephosphonic acid) xsodium salt
    • C3H11NNaO9P3
    • SCHEMBL30357158
    • DTXSID20873435
    • sodium;[bis(phosphonomethyl)amino]methyl-hydroxyphosphinate
    • RCUMDGGJOOTRBS-UHFFFAOYSA-M
    • MFCD01940971
    • NS00084769
    • Q27272573
    • sodium;[bis(phosphonomethyl)amino]methyl-hydroxy-phosphinate
    • Sodium hydrogen {[bis(phosphonomethyl)amino]methyl}phosphonate
    • 20592-85-2

  • Applications

    Sodium aminotris(methylenephosphonate) (CAS 20592-85-2) is commonly used as a chelating agent and as a scale and corrosion inhibitor in industrial water treatment, including boiler feedwater and cooling systems; it also functions as a dispersant and hardness stabilizer in detergents and cleaning products; in metal finishing and electroplating processes it sequesters metal ions and reduces fouling; in pulp and paper processing it serves as a chelating agent to control trace metals and improve process efficiency; and in coatings and inks it can act as a chelating and dispersing additive to stabilize pigment dispersions and limit metal-catalyzed degradation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.96
    methanol 1.98
    isopropanol 0.77
    water 27.37
    ethyl acetate 0.98
    n-propanol 0.9
    acetone 1.72
    n-butanol 0.8
    acetonitrile 1.24
    DMF 21.78
    toluene 0.71
    isobutanol 0.6
    1,4-dioxane 1.64
    methyl acetate 0.74
    THF 3.37
    2-butanone 0.93
    n-pentanol 0.52
    sec-butanol 0.62
    n-hexane 0.13
    ethylene glycol 9.28
    NMP 49.79
    cyclohexane 0.29
    DMSO 26.28
    n-butyl acetate 1.38
    n-octanol 0.62
    chloroform 0.12
    n-propyl acetate 0.6
    acetic acid 3.95
    dichloromethane 0.3
    cyclohexanone 2.43
    propylene glycol 6.43
    isopropyl acetate 0.73
    DMAc 16.27
    2-ethoxyethanol 4.09
    isopentanol 0.58
    n-heptane 0.52
    ethyl formate 1.21
    1,2-dichloroethane 0.43
    n-hexanol 1.55
    2-methoxyethanol 11.32
    isobutyl acetate 0.3
    tetrachloromethane 0.06
    n-pentyl acetate 0.82
    transcutol 7.19
    n-heptanol 1.21
    ethylbenzene 0.31
    MIBK 0.76
    2-propoxyethanol 10.36
    tert-butanol 0.88
    MTBE 0.31
    2-butoxyethanol 5.56
    propionic acid 2.07
    o-xylene 0.88
    formic acid 16.81
    diethyl ether 0.49
    m-xylene 0.8
    p-xylene 0.34
    chlorobenzene 0.24
    dimethyl carbonate 2.99
    n-octane 0.15
    formamide 21.32
    cyclopentanone 4.46
    2-pentanone 1.16
    anisole 0.57
    cyclopentyl methyl ether 2.16
    gamma-butyrolactone 7.84
    1-methoxy-2-propanol 9.83
    pyridine 1.74
    3-pentanone 1.13
    furfural 11.93
    n-dodecane 0.08
    diethylene glycol 21.33
    diisopropyl ether 0.29
    tert-amyl alcohol 0.72
    acetylacetone 2.47
    n-hexadecane 0.09
    acetophenone 1.32
    methyl propionate 2.0
    isopentyl acetate 0.9
    trichloroethylene 0.43
    n-nonanol 0.64
    cyclohexanol 1.19
    benzyl alcohol 1.11
    2-ethylhexanol 0.88
    isooctanol 0.68
    dipropyl ether 1.45
    1,2-dichlorobenzene 0.3
    ethyl lactate 2.57
    propylene carbonate 3.11
    n-methylformamide 9.47
    2-pentanol 0.61
    n-pentane 0.19
    1-propoxy-2-propanol 7.5
    1-methoxy-2-propyl acetate 3.77
    2-(2-methoxypropoxy) propanol 4.23
    mesitylene 0.61
    ε-caprolactone 2.71
    p-cymene 0.74
    epichlorohydrin 2.2
    1,1,1-trichloroethane 0.1
    2-aminoethanol 7.75
    morpholine-4-carbaldehyde 25.73
    sulfolane 24.99
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 1.24
    n-hexyl acetate 0.77
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 5.62
    sec-butyl acetate 0.37
    tert-butyl acetate 0.79
    decalin 0.11
    glycerin 34.87
    diglyme 7.98
    acrylic acid 4.36
    isopropyl myristate 0.38
    n-butyric acid 2.01
    acetyl acetate 0.72
    di(2-ethylhexyl) phthalate 0.77
    ethyl propionate 0.87
    nitromethane 6.32
    1,2-diethoxyethane 1.0
    benzonitrile 0.83
    trioctyl phosphate 0.72
    1-bromopropane 0.2
    gamma-valerolactone 11.31
    n-decanol 0.51
    triethyl phosphate 1.15
    4-methyl-2-pentanol 0.4
    propionitrile 0.75
    vinylene carbonate 2.87
    1,1,2-trichlorotrifluoroethane 7.09
    DMS 1.22
    cumene 0.28
    2-octanol 0.54
    2-hexanone 0.55
    octyl acetate 0.55
    limonene 0.95
    1,2-dimethoxyethane 2.94
    ethyl orthosilicate 1.08
    tributyl phosphate 0.68
    diacetone alcohol 2.83
    N,N-dimethylaniline 1.25
    acrylonitrile 1.72
    aniline 1.45
    1,3-propanediol 4.43
    bromobenzene 0.19
    dibromomethane 0.19
    1,1,2,2-tetrachloroethane 0.5
    2-methyl-cyclohexyl acetate 1.03
    tetrabutyl urea 1.74
    diisobutyl methanol 0.63
    2-phenylethanol 1.69
    styrene 0.28
    dioctyl adipate 0.62
    dimethyl sulfate 8.53
    ethyl butyrate 1.33
    methyl lactate 8.67
    butyl lactate 2.89
    diethyl carbonate 0.79
    propanediol butyl ether 5.74
    triethyl orthoformate 1.4
    p-tert-butyltoluene 0.75
    methyl 4-tert-butylbenzoate 2.9
    morpholine 2.71
    tert-butylamine 0.52
    n-dodecanol 0.41
    dimethoxymethane 6.71
    ethylene carbonate 1.96
    cyrene 9.54
    2-ethoxyethyl acetate 1.3
    2-ethylhexyl acetate 0.76
    1,2,4-trichlorobenzene 0.37
    4-methylpyridine 1.54
    dibutyl ether 0.41
    2,6-dimethyl-4-heptanol 0.63
    DEF 3.82
    dimethyl isosorbide 9.29
    tetrachloroethylene 0.39
    eugenol 4.57
    triacetin 1.64
    span 80 4.34
    1,4-butanediol 1.94
    1,1-dichloroethane 0.14
    2-methyl-1-pentanol 0.35
    methyl formate 5.73
    2-methyl-1-butanol 0.61
    n-decane 0.13
    butyronitrile 0.65
    3,7-dimethyl-1-octanol 0.44
    1-chlorooctane 0.21
    1-chlorotetradecane 0.12
    n-nonane 0.14
    undecane 0.1
    tert-butylcyclohexane 0.08
    cyclooctane 0.24
    cyclopentanol 1.66
    tetrahydropyran 0.74
    tert-amyl methyl ether 0.49
    2,5,8-trioxanonane 7.16
    1-hexene 0.19
    2-isopropoxyethanol 1.92
    2,2,2-trifluoroethanol 4.23
    methyl butyrate 1.02

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
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Rinse-off products applied to the hair with some hand contact
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Category 2
Products applied to the axillae
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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
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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