2-Phosphonobutane-1,2,4-tricarboxylic acid

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  • Identifiers

    CAS number
    37971-36-1

    Molecular formula
    C7H11O9P

    SMILES
    C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 68.73%
    Sour 36.8%
    Savory 23.2%
    Clean 21.39%
    Winey 21.37%
    Sharp 20.51%
    Cooked 18.47%
    Meaty 17.8%
    Milky 17.33%
    Sweet 17.29%

     

    Flavor
    Odorless 74.02%
    Sour 38.25%
    Very mild 36.66%
    Mild 33.87%
    Bland 27.63%
    Yeast 24.63%
    Caramellic 23.75%
    Nutty 22.71%
    Musty 21.6%
    Faint 21.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.8

    pKa est.
    4.42 (weak acid)

    Molecular weight
    270.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    505°C

    Flash point

    • 299.54 ˚C est.

  • Synonyms

    • 2-PHOSPHONOBUTANE-1,2,4-TRICARBOXYLIC ACID
    • 37971-36-1
    • 2-Phosphono-1,2,4-butanetricarboxylic acid
    • 1,2,4-Butanetricarboxylic acid, 2-phosphono-
    • phosphonobutanetricarboxylic acid
    • BAYHIBIT AM
    • 306P37319L
    • DTXSID4027999
    • PBTA
    • PBTC tricarboxylic acid
    • RefChem:478251
    • DTXCID807999
    • 253-733-5
    • PBTC
    • MFCD01940753
    • 3-Carboxy-3-phosphonohexanedioic Acid
    • 2-Phosophonobutane-1,2,4-tricarboxylic acid
    • C7H11O9P
    • 2-Phosphonobutane-1,2,4-tricarbonic acid
    • EINECS 253-733-5
    • EC 253-733-5
    • UNII-306P37319L
    • MAYOQUEST 2100
    • DEQUEST 7000
    • SCHEMBL22514
    • AKOS007930701
    • FP45281
    • DB-049222
    • CS-0451914
    • NS00001823
    • P1857
    • Butanetricarboxylic acid, 2-phosphono-1,2,4-
    • 971P361
    • A823953
    • Q27255925
    • 2-Phosphonobutane-1,2,4-tricarboxylic acid 50% in water
    • 2-Phosphonobutane-1,2,4-tricarboxylic acid (50% Aqueous solution)
    • 2-Phosphonobutane-1,2,4-tricarboxylic acid (ca. 50% in water)
    • 2-Phosphonobutane-1,2,4-tricarboxylic acid, 50% aqueous solution
    • 37971-36-1

  • Applications

    2-Phosphonobutane-1,2,4-tricarboxylic acid (PBTC) is widely used as a robust chelating agent and scale/corrosion inhibitor in industrial water treatment, notably in cooling water systems and boiler-feed applications, where it sequesters multivalent metal ions and helps prevent deposits. It is also employed in detergent and cleaner formulations to soften hard water and stabilize products by binding trace metals. In the cement and concrete industry, PBTC acts as a set-retarding and dispersing admixture, improving workability and controlling cement hydration. In coatings and inks, PBTC serves as a metal-ion stabilizer and pigment dispersant, helping prevent precipitation of metal contaminants during formulation. In polymer processing, PBTC can function as a processing aid that controls metal-catalyzed degradation and helps maintain stability of certain polymerization systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 84.75
    methanol 261.17
    isopropanol 36.31
    water 714.66
    ethyl acetate 5.2
    n-propanol 39.46
    acetone 36.43
    n-butanol 21.08
    acetonitrile 6.33
    DMF 373.44
    toluene 3.83
    isobutanol 15.37
    1,4-dioxane 27.43
    methyl acetate 5.44
    THF 78.19
    2-butanone 12.4
    n-pentanol 11.51
    sec-butanol 19.19
    n-hexane 2.87
    ethylene glycol 189.67
    NMP 165.76
    cyclohexane 4.02
    DMSO 565.39
    n-butyl acetate 2.73
    n-octanol 6.32
    chloroform 0.93
    n-propyl acetate 2.75
    acetic acid 13.99
    dichloromethane 2.88
    cyclohexanone 13.05
    propylene glycol 73.17
    isopropyl acetate 4.32
    DMAc 154.9
    2-ethoxyethanol 89.32
    isopentanol 11.55
    n-heptane 3.56
    ethyl formate 7.76
    1,2-dichloroethane 4.67
    n-hexanol 12.5
    2-methoxyethanol 236.68
    isobutyl acetate 0.6
    tetrachloromethane 1.12
    n-pentyl acetate 2.43
    transcutol 23.8
    n-heptanol 9.39
    ethylbenzene 2.05
    MIBK 8.56
    2-propoxyethanol 58.31
    tert-butanol 36.62
    MTBE 7.46
    2-butoxyethanol 25.78
    propionic acid 9.5
    o-xylene 4.85
    formic acid 154.01
    diethyl ether 17.76
    m-xylene 3.42
    p-xylene 1.63
    chlorobenzene 0.59
    dimethyl carbonate 16.82
    n-octane 1.39
    formamide 267.1
    cyclopentanone 33.94
    2-pentanone 15.56
    anisole 5.3
    cyclopentyl methyl ether 29.92
    gamma-butyrolactone 27.81
    1-methoxy-2-propanol 128.23
    pyridine 9.79
    3-pentanone 12.52
    furfural 24.63
    n-dodecane 0.52
    diethylene glycol 100.28
    diisopropyl ether 4.68
    tert-amyl alcohol 20.09
    acetylacetone 16.03
    n-hexadecane 0.55
    acetophenone 5.22
    methyl propionate 13.57
    isopentyl acetate 1.64
    trichloroethylene 2.29
    n-nonanol 5.78
    cyclohexanol 14.12
    benzyl alcohol 6.37
    2-ethylhexanol 4.35
    isooctanol 4.45
    dipropyl ether 12.26
    1,2-dichlorobenzene 0.71
    ethyl lactate 7.58
    propylene carbonate 5.98
    n-methylformamide 154.21
    2-pentanol 14.27
    n-pentane 4.21
    1-propoxy-2-propanol 27.13
    1-methoxy-2-propyl acetate 7.84
    2-(2-methoxypropoxy) propanol 12.19
    mesitylene 2.77
    ε-caprolactone 8.64
    p-cymene 1.69
    epichlorohydrin 20.75
    1,1,1-trichloroethane 0.85
    2-aminoethanol 159.23
    morpholine-4-carbaldehyde 83.55
    sulfolane 78.44
    2,2,4-trimethylpentane 0.76
    2-methyltetrahydrofuran 19.48
    n-hexyl acetate 3.1
    isooctane 0.53
    2-(2-butoxyethoxy)ethanol 19.41
    sec-butyl acetate 1.45
    tert-butyl acetate 6.02
    decalin 0.88
    glycerin 174.05
    diglyme 34.85
    acrylic acid 11.67
    isopropyl myristate 1.43
    n-butyric acid 7.73
    acetyl acetate 1.99
    di(2-ethylhexyl) phthalate 1.45
    ethyl propionate 4.7
    nitromethane 27.84
    1,2-diethoxyethane 5.82
    benzonitrile 1.43
    trioctyl phosphate 2.06
    1-bromopropane 2.62
    gamma-valerolactone 39.77
    n-decanol 4.14
    triethyl phosphate 2.52
    4-methyl-2-pentanol 6.3
    propionitrile 4.9
    vinylene carbonate 4.65
    1,1,2-trichlorotrifluoroethane 21.88
    DMS 2.41
    cumene 1.47
    2-octanol 4.37
    2-hexanone 4.97
    octyl acetate 2.16
    limonene 2.76
    1,2-dimethoxyethane 63.13
    ethyl orthosilicate 2.53
    tributyl phosphate 1.41
    diacetone alcohol 23.19
    N,N-dimethylaniline 8.56
    acrylonitrile 7.12
    aniline 6.55
    1,3-propanediol 92.45
    bromobenzene 0.47
    dibromomethane 2.05
    1,1,2,2-tetrachloroethane 3.11
    2-methyl-cyclohexyl acetate 1.98
    tetrabutyl urea 4.45
    diisobutyl methanol 3.27
    2-phenylethanol 5.38
    styrene 1.53
    dioctyl adipate 1.74
    dimethyl sulfate 40.35
    ethyl butyrate 3.53
    methyl lactate 31.13
    butyl lactate 4.68
    diethyl carbonate 1.81
    propanediol butyl ether 15.64
    triethyl orthoformate 3.2
    p-tert-butyltoluene 1.79
    methyl 4-tert-butylbenzoate 8.15
    morpholine 49.69
    tert-butylamine 16.01
    n-dodecanol 2.8
    dimethoxymethane 185.12
    ethylene carbonate 3.82
    cyrene 21.06
    2-ethoxyethyl acetate 3.28
    2-ethylhexyl acetate 1.3
    1,2,4-trichlorobenzene 0.77
    4-methylpyridine 7.17
    dibutyl ether 2.83
    2,6-dimethyl-4-heptanol 3.27
    DEF 35.94
    dimethyl isosorbide 19.9
    tetrachloroethylene 3.54
    eugenol 9.98
    triacetin 2.64
    span 80 7.5
    1,4-butanediol 36.93
    1,1-dichloroethane 1.33
    2-methyl-1-pentanol 5.32
    methyl formate 71.09
    2-methyl-1-butanol 11.55
    n-decane 1.05
    butyronitrile 4.16
    3,7-dimethyl-1-octanol 2.74
    1-chlorooctane 1.58
    1-chlorotetradecane 0.64
    n-nonane 1.19
    undecane 0.72
    tert-butylcyclohexane 0.52
    cyclooctane 2.49
    cyclopentanol 23.76
    tetrahydropyran 14.27
    tert-amyl methyl ether 10.12
    2,5,8-trioxanonane 26.71
    1-hexene 3.64
    2-isopropoxyethanol 26.47
    2,2,2-trifluoroethanol 15.25
    methyl butyrate 5.43

    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