Aminotrimethylene phosphonic acid

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  • Identifiers

    CAS number
    6419-19-8

    Molecular formula
    C3H12NO9P3

    SMILES
    C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 72.55%
    Sweet 22.73%
    Clean 18.39%
    Savory 16.67%
    Sour 15.7%
    Sharp 13.39%
    Alcoholic 13.32%
    Fishy 13.17%
    Cooked 13.02%
    Bitter 12.59%

     

    Flavor
    Odorless 70.42%
    Mild 30.12%
    Sour 28.12%
    Bland 26.97%
    Very mild 22.82%
    Yeast 21.48%
    Sweet-like 20.16%
    Formyl 19.25%
    Soy 19.11%
    Faint 19.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -7.2

    pKa est.
    1.9 (strong acid)

    Molecular weight
    299.05 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2067°C

    Melting point expt.

    • 210 - 215 °C

    Flash point

    • 415.1 ˚C est.

    Solubility expt.

    • 1000 mg/mL at 25 °C

  • Synonyms

    • 6419-19-8
    • Tris(phosphonomethyl)amine
    • Aminotrimethylene phosphonic acid
    • Ferrofos 509
    • Dequest 2000
    • Dowell L 37
    • Nitrilotrimethylphosphonic acid
    • Aminotri(methylene phosphonic acid)
    • Aminotris(methylphosphonic acid)
    • Aminotris(methanephosphonic acid)
    • Aminotri(methylenephosphonic acid)
    • Aminotris(methylenephosphonic acid)
    • Aminotri(methylphosphonic acid)
    • Nitrilotrimethanephosphonic acid
    • Nitrilotrimethylenephosphonic acid
    • Amino, tris(methylene phosphonic acid)
    • Nitrilotrimethylenetris(phosphonic acid)
    • Phosphonic acid, [nitrilotris(methylene)]tris-
    • NITRILOTRIS(METHYLPHOSPHONIC ACID)
    • {[bis(phosphonomethyl)amino]methyl}phosphonic acid
    • (Nitrilotris(methylene))trisphosphonic acid
    • AI3-51572
    • EINECS 229-146-5
    • BRN 1715724
    • Nitrilotris(methylene)trisphosphonic acid
    • DTXSID2027624
    • [Nitrilotris(methylene)]trisphosphonic acid
    • Phosphonic acid, (nitrilotris(methylene))tri-
    • (Nitrilotris(methylene))trisphosphonic acid, sodium salt
    • DTXCID107624
    • Phosphonic acid, (nitrilotris(methylene))tris-
    • EC 229-146-5
    • 4-01-00-03070 (Beilstein Handbook Reference)
    • Phosphonic acid, P,P',P''-(nitrilotris(methylene))tris-
    • [nitrilotris(methylene)]trisphosphonic acid, sodium salt
    • Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-
    • .ALPHA.,.ALPHA.',.ALPHA.''-AMINOTRIS(METHYLPHOSPHONIC ACID)
    • Phosphonic acid, P,P',P''-(nitrilotris(methylene))tris-, sodium salt (1:?)
    • ((bis(phosphonomethyl)amino)methyl)phosphonic acid
    • Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-, sodium salt (1:?)
    • RefChem:557587
    • Phosphonic acid, (nitrilotris(methylene))tri
    • Phosphonic acid, (nitrilotris(methylene))tris
    • AMINOTRIMETHYLENE PHOSPHONIC ACID [INCI]
    • Phosphonic acid, P,P',P''(nitrilotris(methylene))tris
    • ALPHA,ALPHA',ALPHA''-AMINOTRIS(METHYLPHOSPHONIC ACID)
    • 243-900-0
    • (Nitrilotris(methylene))triphosphonic acid
    • ATMP
    • Nitrilotri(methylphosphonic acid)
    • NITRILOTRIS(METHYLENE)TRIPHOSPHONIC ACID
    • Nitrilotri(methylphosphonic acid) (ATMP)
    • [bis(phosphonomethyl)amino]methylphosphonic acid
    • Nitrilotris(methylenephosphonic acid)
    • Amino tris(methylene phosphonic acid)
    • C3H12NO9P3
    • MFCD00002138
    • 1Y702GD0FG
    • Sodium (nitrilotris(methylene))triphosphonate
    • 1,1,1-Nitrilotris(methylphosphonic Acid)
    • (nitrilotris(methylene))tris(phosphonic acid)
    • [nitrilotris(methylene)]tris(phosphonic acid)
    • 103333-74-0
    • dodecylamine-N,N-bis(methylenephosphonic acid) sodium salt
    • (nitrilotris(methylene))tris-Phosphonic acid
    • [nitrilotris(methylene)]tris-Phosphonic acid
    • UNII-1Y702GD0FG
    • NTPO
    • Dequest 2001
    • Phosphoric acid, (nitrilotris-(methylene))tris-
    • SCHEMBL21434
    • CHEMBL260191
    • orb1299408
    • SCHEMBL11226780
    • CHEBI:168957
    • Sym-Trimethylaminetriphosphonic acid
    • Tox21_202753
    • SBB037836
    • nitrilotris (methylenephosphonic acid)
    • AKOS003599784
    • CS-W012141
    • EBC-617005
    • FN26233
    • 7611-50-9 (tri-hydrochloride salt)
    • NCGC00164342-01
    • NCGC00260300-01
    • 2235-43-0 (penta-hydrochloride salt)
    • NitrilotrimethylentriphosphonsA currencyure
    • ST011997
    • CAS-6419-19-8
    • (nitrilotris(methylene))tri-Phosphonic acid
    • N0474
    • NS00007905
    • (nitrilotris-(methylene))tris-Phosphoric acid
    • F238891
    • Nitrilotri(methylphosphonic acid), >=97.0% (T)
    • Q4222241
    • W-104858
    • 2-Azapropane-1,3-diphosphonic acid, 2-phosphomethyl-
    • p,p',p''-(Nitrilotris(methylene))tris-Phosphonic acid
    • P,P',P''-[Nitrilotris(methylene)]trisphosphonic acid
    • Nitrilotri(methylphosphonic acid) (ca. 50% in Water, ca. 2.2mol/L)
    • Nitrilotris(methylenephosphonic acid) (ca. 50% in water, ca. 2.2mol/L)
    • (Nitrilotris(methylene))triphosphonic acid (ca. 50% in Water, ca. 2.2mol/L)
    • 6419-19-8

  • Applications

    Aminotrimethylene phosphonic acid (ATMP) is a versatile chelating agent used in a range of industrial formulations. It is commonly employed as a water-softening and anti-scale additive in household detergents and process waters, where it sequesters calcium and magnesium ions to prevent precipitation and scale buildup. In industrial water treatment, ATMP serves as a corrosion inhibitor for boiler and cooling water systems and can function as a stabilizer for metal-containing formulations. It is also used in coatings and inks to complex metal ions that could catalyze degradation, and in papermaking as a dispersant and anti-scale additive. In polymer formulations, ATMP may act as a stabilizer or dispersant in certain systems, and it can be evaluated for agricultural use as a chelating agent for micronutrient delivery. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.67
    methanol 1.39
    isopropanol 0.48
    water 24.8
    ethyl acetate 0.48
    n-propanol 0.61
    acetone 0.84
    n-butanol 0.51
    acetonitrile 0.59
    DMF 11.89
    toluene 0.42
    isobutanol 0.4
    1,4-dioxane 0.84
    methyl acetate 0.38
    THF 2.04
    2-butanone 0.51
    n-pentanol 0.32
    sec-butanol 0.4
    n-hexane 0.1
    ethylene glycol 5.5
    NMP 29.82
    cyclohexane 0.2
    DMSO 15.09
    n-butyl acetate 0.8
    n-octanol 0.4
    chloroform 0.08
    n-propyl acetate 0.32
    acetic acid 2.27
    dichloromethane 0.18
    cyclohexanone 1.42
    propylene glycol 3.83
    isopropyl acetate 0.38
    DMAc 9.06
    2-ethoxyethanol 2.13
    isopentanol 0.37
    n-heptane 0.39
    ethyl formate 0.63
    1,2-dichloroethane 0.24
    n-hexanol 1.01
    2-methoxyethanol 5.77
    isobutyl acetate 0.17
    tetrachloromethane 0.04
    n-pentyl acetate 0.48
    transcutol 3.65
    n-heptanol 0.79
    ethylbenzene 0.2
    MIBK 0.4
    2-propoxyethanol 6.03
    tert-butanol 0.54
    MTBE 0.19
    2-butoxyethanol 3.23
    propionic acid 1.21
    o-xylene 0.53
    formic acid 10.16
    diethyl ether 0.29
    m-xylene 0.45
    p-xylene 0.22
    chlorobenzene 0.14
    dimethyl carbonate 1.31
    n-octane 0.12
    formamide 12.14
    cyclopentanone 2.58
    2-pentanone 0.62
    anisole 0.28
    cyclopentyl methyl ether 1.32
    gamma-butyrolactone 4.36
    1-methoxy-2-propanol 5.13
    pyridine 1.02
    3-pentanone 0.66
    furfural 5.92
    n-dodecane 0.05
    diethylene glycol 10.93
    diisopropyl ether 0.17
    tert-amyl alcohol 0.46
    acetylacetone 1.03
    n-hexadecane 0.06
    acetophenone 0.68
    methyl propionate 1.04
    isopentyl acetate 0.53
    trichloroethylene 0.23
    n-nonanol 0.4
    cyclohexanol 0.79
    benzyl alcohol 0.6
    2-ethylhexanol 0.6
    isooctanol 0.43
    dipropyl ether 0.93
    1,2-dichlorobenzene 0.16
    ethyl lactate 1.38
    propylene carbonate 1.58
    n-methylformamide 5.12
    2-pentanol 0.4
    n-pentane 0.13
    1-propoxy-2-propanol 4.44
    1-methoxy-2-propyl acetate 2.01
    2-(2-methoxypropoxy) propanol 2.2
    mesitylene 0.35
    ε-caprolactone 1.6
    p-cymene 0.51
    epichlorohydrin 1.14
    1,1,1-trichloroethane 0.06
    2-aminoethanol 4.91
    morpholine-4-carbaldehyde 13.45
    sulfolane 14.63
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 0.78
    n-hexyl acetate 0.44
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 2.92
    sec-butyl acetate 0.21
    tert-butyl acetate 0.4
    decalin 0.08
    glycerin 18.84
    diglyme 3.88
    acrylic acid 2.43
    isopropyl myristate 0.2
    n-butyric acid 1.14
    acetyl acetate 0.31
    di(2-ethylhexyl) phthalate 0.41
    ethyl propionate 0.47
    nitromethane 2.92
    1,2-diethoxyethane 0.55
    benzonitrile 0.43
    trioctyl phosphate 0.4
    1-bromopropane 0.14
    gamma-valerolactone 5.88
    n-decanol 0.31
    triethyl phosphate 0.7
    4-methyl-2-pentanol 0.25
    propionitrile 0.43
    vinylene carbonate 1.44
    1,1,2-trichlorotrifluoroethane 3.56
    DMS 0.62
    cumene 0.18
    2-octanol 0.37
    2-hexanone 0.31
    octyl acetate 0.29
    limonene 0.64
    1,2-dimethoxyethane 1.47
    ethyl orthosilicate 0.69
    tributyl phosphate 0.39
    diacetone alcohol 1.42
    N,N-dimethylaniline 0.68
    acrylonitrile 0.89
    aniline 0.82
    1,3-propanediol 2.57
    bromobenzene 0.1
    dibromomethane 0.13
    1,1,2,2-tetrachloroethane 0.29
    2-methyl-cyclohexyl acetate 0.61
    tetrabutyl urea 1.01
    diisobutyl methanol 0.44
    2-phenylethanol 0.92
    styrene 0.16
    dioctyl adipate 0.32
    dimethyl sulfate 4.03
    ethyl butyrate 0.75
    methyl lactate 4.3
    butyl lactate 1.67
    diethyl carbonate 0.43
    propanediol butyl ether 3.21
    triethyl orthoformate 0.87
    p-tert-butyltoluene 0.53
    methyl 4-tert-butylbenzoate 1.53
    morpholine 1.54
    tert-butylamine 0.35
    n-dodecanol 0.24
    dimethoxymethane 3.3
    ethylene carbonate 1.02
    cyrene 4.97
    2-ethoxyethyl acetate 0.69
    2-ethylhexyl acetate 0.49
    1,2,4-trichlorobenzene 0.2
    4-methylpyridine 0.9
    dibutyl ether 0.26
    2,6-dimethyl-4-heptanol 0.44
    DEF 2.18
    dimethyl isosorbide 4.73
    tetrachloroethylene 0.24
    eugenol 2.32
    triacetin 0.81
    span 80 2.29
    1,4-butanediol 1.14
    1,1-dichloroethane 0.09
    2-methyl-1-pentanol 0.21
    methyl formate 2.85
    2-methyl-1-butanol 0.4
    n-decane 0.09
    butyronitrile 0.37
    3,7-dimethyl-1-octanol 0.27
    1-chlorooctane 0.14
    1-chlorotetradecane 0.07
    n-nonane 0.1
    undecane 0.07
    tert-butylcyclohexane 0.06
    cyclooctane 0.17
    cyclopentanol 1.1
    tetrahydropyran 0.46
    tert-amyl methyl ether 0.31
    2,5,8-trioxanonane 3.29
    1-hexene 0.13
    2-isopropoxyethanol 1.03
    2,2,2-trifluoroethanol 2.31
    methyl butyrate 0.55

    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