(((phosphonomethyl)imino)bis((ethylenenitrilo)bis(methylene)))tetrakisphosphonic acid, sodium salt

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  • Identifiers

    CAS number
    22042-96-2

    Molecular formula
    C9H27N3NaO15P5

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 74.04%
    Sweet 25.05%
    Savory 20.01%
    Fishy 17.69%
    Clean 16.43%
    Alcoholic 15.62%
    Cooling 14.11%
    Oily 13.89%
    Bitter 12.53%
    Cooked 12.3%

     

    Flavor
    Odorless 69.97%
    Mild 34.58%
    Bland 33.31%
    Bitter 25.54%
    Very mild 22.57%
    Sweet-like 21.78%
    Yeast 21.53%
    Faint 21.39%
    Formyl 18.61%
    Rotten 18.52%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    -3.06 (strong acid)

    Molecular weight
    595.18 g/mol

    Flash point

    • 578.55 ˚C est.

  • Synonyms

    • Diethylenetriaminepenta(methylenephosphonic acid), sodium salt
    • Dequest 2066
    • (((Phosphonomethyl)imino)bis((ethylenenitrilo)bis(methylene)))tetrakisphosphonic acid, sodium salt
    • Phosphonic acid, P,P',P'',P'''-(((phosphonomethyl)imino)bis(2,1-ethanediylnitrilobis(methylene)))tetrakis-, sodium salt (1:?)
    • [[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonic acid, sodium salt
    • Phosphonic acid, P,P',P'',P'''-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, sodium salt (1:?)
    • RefChem:389430
    • DTXSID2029321
    • 22042-96-2
    • sodium;[2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methyl-hydroxyphosphinate
    • Wayplex 55S
    • 94987-76-5
    • Sequion 40Na32
    • Briquest 543-33S
    • Dequest 2066 deflocculant and sequestrant
    • Sodium (((phosphonomethyl)imino)bis(2,1-ethanediylnitrilobis(methylene)))tetrakisphosphonate
    • Sodium [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakisphosphonate
    • EINECS 244-751-4
    • P6WC2P6QUK
    • DTXSID0029840
    • SCHEMBL29368643
    • Phosphonic acid, ((bis(2-(bis(phosphonomethyl)amino)ethyl)amino)methyl)-, sodium salt
    • FD151304
    • Phosphonic acid, (((phosphonomethyl)imino)bis(2,1-ethanediylnitrilobis(methylene)))tetrakis-, sodium salt
    • Phosphonic acid, (((phosphonomethyl)imino)bis(2,1-ethanediylnitrilobis(methylene)))tetrakis-,sodium salt
    • NS00100152
    • EC 244-751-4
    • A815868
    • Diethylenetriaminepenta(methylenephosphonic acid) sodiumsalt
    • MONOSODIUM DIETHYLENETRIAMINEPENTAMETHYLENEPHOSPHONATE
    • Diethylenetriaminepenta(methylenephosphonic acid) xsodium salt
    • Diethylene triamine penta(methylene phosphonic acid), sodium salt
    • Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, monosodium salt
    • sodium [2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methyl-hydroxyphosphinate
    • sodium [2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methyl-oxidanyl-phosphinate
    • Sodium hydrogen [1,1-dihydroxy-1-oxo-3,6,9-tris(phosphonomethyl)-3,6,9-triaza-1lambda~5~-phosphadecan-10-yl]phosphonate
    • 22042-96-2

  • Applications

    For (((phosphonomethyl)imino)bis((ethylenenitrilo)bis(methylene)))tetrakisphosphonic acid, sodium salt (CAS 22042-96-2), this compound is used in industry primarily as a strong multidentate chelating agent for metal ions; it serves as a scale and corrosion inhibitor in water treatment, boiler feedwater, and cooling systems; it also functions as a dispersant/anti-precipitation additive in detergents and household cleaners; in coatings, inks, and polymer formulations it acts as a stabilizer and pigment/filler dispersant via metal ion complexation; and it can be employed as an intermediate or functional additive in the synthesis of other phosphonate-based chelating agents and specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.08
    methanol 0.56
    isopropanol 0.02
    water 3.93
    ethyl acetate 0.02
    n-propanol 0.04
    acetone 0.04
    n-butanol 0.02
    acetonitrile 0.02
    DMF 1.85
    toluene 0.01
    isobutanol 0.02
    1,4-dioxane 0.01
    methyl acetate 0.02
    THF 0.07
    2-butanone 0.03
    n-pentanol 0.01
    sec-butanol 0.02
    n-hexane 0.0
    ethylene glycol 0.48
    NMP 3.82
    cyclohexane 0.0
    DMSO 2.43
    n-butyl acetate 0.02
    n-octanol 0.01
    chloroform 0.01
    n-propyl acetate 0.01
    acetic acid 0.36
    dichloromethane 0.02
    cyclohexanone 0.07
    propylene glycol 0.33
    isopropyl acetate 0.01
    DMAc 1.32
    2-ethoxyethanol 0.11
    isopentanol 0.01
    n-heptane 0.0
    ethyl formate 0.05
    1,2-dichloroethane 0.01
    n-hexanol 0.01
    2-methoxyethanol 0.61
    isobutyl acetate 0.0
    tetrachloromethane 0.0
    n-pentyl acetate 0.01
    transcutol 0.19
    n-heptanol 0.02
    ethylbenzene 0.0
    MIBK 0.02
    2-propoxyethanol 0.2
    tert-butanol 0.01
    MTBE 0.0
    2-butoxyethanol 0.11
    propionic acid 0.12
    o-xylene 0.02
    formic acid 4.45
    diethyl ether 0.01
    m-xylene 0.01
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.1
    n-octane 0.0
    formamide 3.62
    cyclopentanone 0.17
    2-pentanone 0.03
    anisole 0.01
    cyclopentyl methyl ether 0.04
    gamma-butyrolactone 0.25
    1-methoxy-2-propanol 0.3
    pyridine 0.05
    3-pentanone 0.04
    furfural 0.47
    n-dodecane 0.0
    diethylene glycol 0.47
    diisopropyl ether 0.0
    tert-amyl alcohol 0.01
    acetylacetone 0.06
    n-hexadecane 0.0
    acetophenone 0.03
    methyl propionate 0.06
    isopentyl acetate 0.01
    trichloroethylene 0.02
    n-nonanol 0.01
    cyclohexanol 0.02
    benzyl alcohol 0.02
    2-ethylhexanol 0.01
    isooctanol 0.01
    dipropyl ether 0.02
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.07
    propylene carbonate 0.07
    n-methylformamide 0.98
    2-pentanol 0.01
    n-pentane 0.0
    1-propoxy-2-propanol 0.14
    1-methoxy-2-propyl acetate 0.07
    2-(2-methoxypropoxy) propanol 0.1
    mesitylene 0.01
    ε-caprolactone 0.07
    p-cymene 0.01
    epichlorohydrin 0.06
    1,1,1-trichloroethane 0.0
    2-aminoethanol 0.46
    morpholine-4-carbaldehyde 0.81
    sulfolane 1.61
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.02
    n-hexyl acetate 0.01
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.1
    sec-butyl acetate 0.01
    tert-butyl acetate 0.01
    decalin 0.0
    glycerin 2.1
    diglyme 0.19
    acrylic acid 0.29
    isopropyl myristate 0.0
    n-butyric acid 0.08
    acetyl acetate 0.01
    di(2-ethylhexyl) phthalate 0.01
    ethyl propionate 0.02
    nitromethane 0.38
    1,2-diethoxyethane 0.01
    benzonitrile 0.01
    trioctyl phosphate 0.01
    1-bromopropane 0.01
    gamma-valerolactone 0.39
    n-decanol 0.01
    triethyl phosphate 0.03
    4-methyl-2-pentanol 0.0
    propionitrile 0.02
    vinylene carbonate 0.1
    1,1,2-trichlorotrifluoroethane 0.54
    DMS 0.03
    cumene 0.0
    2-octanol 0.01
    2-hexanone 0.01
    octyl acetate 0.01
    limonene 0.01
    1,2-dimethoxyethane 0.07
    ethyl orthosilicate 0.02
    tributyl phosphate 0.01
    diacetone alcohol 0.08
    N,N-dimethylaniline 0.02
    acrylonitrile 0.05
    aniline 0.03
    1,3-propanediol 0.18
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.02
    2-methyl-cyclohexyl acetate 0.02
    tetrabutyl urea 0.04
    diisobutyl methanol 0.01
    2-phenylethanol 0.02
    styrene 0.0
    dioctyl adipate 0.01
    dimethyl sulfate 0.55
    ethyl butyrate 0.03
    methyl lactate 0.39
    butyl lactate 0.07
    diethyl carbonate 0.02
    propanediol butyl ether 0.12
    triethyl orthoformate 0.03
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.07
    morpholine 0.05
    tert-butylamine 0.01
    n-dodecanol 0.0
    dimethoxymethane 0.28
    ethylene carbonate 0.04
    cyrene 0.21
    2-ethoxyethyl acetate 0.03
    2-ethylhexyl acetate 0.01
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.03
    dibutyl ether 0.01
    2,6-dimethyl-4-heptanol 0.01
    DEF 0.14
    dimethyl isosorbide 0.2
    tetrachloroethylene 0.03
    eugenol 0.08
    triacetin 0.04
    span 80 0.06
    1,4-butanediol 0.04
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.01
    methyl formate 0.48
    2-methyl-1-butanol 0.02
    n-decane 0.0
    butyronitrile 0.01
    3,7-dimethyl-1-octanol 0.01
    1-chlorooctane 0.0
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.03
    tetrahydropyran 0.01
    tert-amyl methyl ether 0.01
    2,5,8-trioxanonane 0.13
    1-hexene 0.0
    2-isopropoxyethanol 0.03
    2,2,2-trifluoroethanol 0.32
    methyl butyrate 0.03

    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