Sodium (ethylenediamine)tetramethylenephosphonate

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  • Identifiers

    CAS number
    22036-77-7

    Molecular formula
    C6H20N2NaO12P4

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 73.39%
    Sweet 24.09%
    Savory 18.8%
    Clean 17.35%
    Fishy 15.67%
    Alcoholic 14.71%
    Oily 13.32%
    Cooling 12.87%
    Bitter 12.7%
    Cooked 12.66%

     

    Flavor
    Odorless 70.4%
    Mild 33.45%
    Bland 30.81%
    Very mild 22.93%
    Bitter 22.52%
    Sour 21.89%
    Yeast 21.64%
    Sweet-like 21.27%
    Faint 20.52%
    Formyl 18.9%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    0.35 (strong acid)

    Molecular weight
    459.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3701°C

    Flash point

    • 484.83 ˚C est.

  • Synonyms

    • Sodium (ethylenediamine)tetramethylenephosphonate
    • RefChem:886620
    • 22036-77-7
    • Phosphonic acid, P,P',P'',P'''-[1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, sodium salt (1:?)
    • 22036-77-7

  • Applications

    Sodium (ethylenediamine)tetramethylenephosphonate is employed as a chelating/sequestering agent in many industrial formulations, serving as a scale inhibitor and corrosion inhibitor in cooling and boiler water systems; as a builder in detergents and industrial cleaners to soften water and stabilize metal ions; as a stabilizer in metal pretreatment and electroplating baths; as a dispersant and stabilizer in polymers and plastics processing; and as an additive in coatings, inks and paints to prevent precipitation of metal ions and improve storage stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.04
    methanol 0.25
    isopropanol 0.01
    water 3.95
    ethyl acetate 0.01
    n-propanol 0.03
    acetone 0.02
    n-butanol 0.02
    acetonitrile 0.01
    DMF 1.0
    toluene 0.01
    isobutanol 0.01
    1,4-dioxane 0.01
    methyl acetate 0.01
    THF 0.04
    2-butanone 0.02
    n-pentanol 0.01
    sec-butanol 0.01
    n-hexane 0.0
    ethylene glycol 0.26
    NMP 3.34
    cyclohexane 0.0
    DMSO 1.74
    n-butyl acetate 0.02
    n-octanol 0.01
    chloroform 0.01
    n-propyl acetate 0.01
    acetic acid 0.17
    dichloromethane 0.01
    cyclohexanone 0.05
    propylene glycol 0.22
    isopropyl acetate 0.01
    DMAc 0.96
    2-ethoxyethanol 0.07
    isopentanol 0.01
    n-heptane 0.01
    ethyl formate 0.02
    1,2-dichloroethane 0.01
    n-hexanol 0.02
    2-methoxyethanol 0.31
    isobutyl acetate 0.0
    tetrachloromethane 0.0
    n-pentyl acetate 0.01
    transcutol 0.13
    n-heptanol 0.02
    ethylbenzene 0.01
    MIBK 0.01
    2-propoxyethanol 0.2
    tert-butanol 0.01
    MTBE 0.0
    2-butoxyethanol 0.1
    propionic acid 0.09
    o-xylene 0.02
    formic acid 2.17
    diethyl ether 0.01
    m-xylene 0.02
    p-xylene 0.01
    chlorobenzene 0.0
    dimethyl carbonate 0.07
    n-octane 0.0
    formamide 1.85
    cyclopentanone 0.11
    2-pentanone 0.02
    anisole 0.01
    cyclopentyl methyl ether 0.05
    gamma-butyrolactone 0.16
    1-methoxy-2-propanol 0.22
    pyridine 0.03
    3-pentanone 0.03
    furfural 0.27
    n-dodecane 0.0
    diethylene glycol 0.37
    diisopropyl ether 0.0
    tert-amyl alcohol 0.02
    acetylacetone 0.03
    n-hexadecane 0.0
    acetophenone 0.03
    methyl propionate 0.04
    isopentyl acetate 0.02
    trichloroethylene 0.01
    n-nonanol 0.01
    cyclohexanol 0.02
    benzyl alcohol 0.02
    2-ethylhexanol 0.02
    isooctanol 0.01
    dipropyl ether 0.03
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.06
    propylene carbonate 0.06
    n-methylformamide 0.51
    2-pentanol 0.01
    n-pentane 0.0
    1-propoxy-2-propanol 0.17
    1-methoxy-2-propyl acetate 0.09
    2-(2-methoxypropoxy) propanol 0.1
    mesitylene 0.01
    ε-caprolactone 0.05
    p-cymene 0.02
    epichlorohydrin 0.03
    1,1,1-trichloroethane 0.0
    2-aminoethanol 0.29
    morpholine-4-carbaldehyde 0.51
    sulfolane 1.52
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.02
    n-hexyl acetate 0.01
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.08
    sec-butyl acetate 0.01
    tert-butyl acetate 0.01
    decalin 0.0
    glycerin 1.46
    diglyme 0.14
    acrylic acid 0.2
    isopropyl myristate 0.0
    n-butyric acid 0.06
    acetyl acetate 0.01
    di(2-ethylhexyl) phthalate 0.01
    ethyl propionate 0.01
    nitromethane 0.16
    1,2-diethoxyethane 0.01
    benzonitrile 0.01
    trioctyl phosphate 0.01
    1-bromopropane 0.0
    gamma-valerolactone 0.21
    n-decanol 0.01
    triethyl phosphate 0.04
    4-methyl-2-pentanol 0.01
    propionitrile 0.01
    vinylene carbonate 0.06
    1,1,2-trichlorotrifluoroethane 0.37
    DMS 0.03
    cumene 0.0
    2-octanol 0.01
    2-hexanone 0.01
    octyl acetate 0.01
    limonene 0.03
    1,2-dimethoxyethane 0.04
    ethyl orthosilicate 0.03
    tributyl phosphate 0.02
    diacetone alcohol 0.07
    N,N-dimethylaniline 0.03
    acrylonitrile 0.03
    aniline 0.03
    1,3-propanediol 0.11
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.01
    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 0.43
    ethyl butyrate 0.03
    methyl lactate 0.31
    butyl lactate 0.07
    diethyl carbonate 0.02
    propanediol butyl ether 0.11
    triethyl orthoformate 0.03
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.07
    morpholine 0.03
    tert-butylamine 0.01
    n-dodecanol 0.0
    dimethoxymethane 0.15
    ethylene carbonate 0.03
    cyrene 0.2
    2-ethoxyethyl acetate 0.02
    2-ethylhexyl acetate 0.01
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.02
    dibutyl ether 0.01
    2,6-dimethyl-4-heptanol 0.01
    DEF 0.11
    dimethyl isosorbide 0.23
    tetrachloroethylene 0.02
    eugenol 0.08
    triacetin 0.03
    span 80 0.07
    1,4-butanediol 0.03
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.01
    methyl formate 0.21
    2-methyl-1-butanol 0.01
    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 0.1
    1-hexene 0.0
    2-isopropoxyethanol 0.02
    2,2,2-trifluoroethanol 0.19
    methyl butyrate 0.02

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 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