Phosphonic acid

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  • Identifiers

    CAS number
    13598-36-2

    Molecular formula
    H3O3P

    SMILES
    OP(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 82.93%
    Sour 25.82%
    Sharp 23.89%
    Pungent 19.96%
    Cheesy 15.87%
    Sulfurous 15.17%
    Sweaty 13.99%
    Ethereal 13.54%
    Burnt 12.81%
    Clean 12.71%

     

    Flavor
    Odorless 69.06%
    Sour 43.67%
    Vinegar 38.55%
    Pungent 37.49%
    Acidic 26.14%
    Sharp 25.27%
    Formyl 23.94%
    Rancid 23.73%
    Soy 21.98%
    Bland 20.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.6

    pKa est.
    2.72 (strong acid)

    Molecular weight
    81.996 g/mol

    Flash point

    • 142.49 ˚C est.

  • Synonyms

    • RefChem:6132
    • DTXCID6029674
    • 237-066-7
    • 13598-36-2
    • CHEBI:44976
    • DTXSID2049715
    • Phosphonic acid
    • Phosphorus trihydroxide
    • 13598-36-2

  • Applications

    Phosphonic acid (CAS 13598-36-2) is widely used as a chelating agent and as a corrosion/scale inhibitor in industrial water treatment, including cooling and boiler systems, and as a precursor to phosphonate-containing polymers and additives used as stabilizers and processing aids in certain plastics. In cleaning formulations and industrial detergents, it sequesters metal ions to prevent mineral deposits and improve cleaning performance. It serves as a chemical intermediate for phosphonate-based polymers and additives, and as a processing aid and stabilizer in some plastics and elastomers. In electronics and surface engineering, it is employed for surface pretreatment and passivation of metal substrates, forming protective or adhesion-modifying layers. In coatings and inks, it helps pigment dispersion and enhances formulation stability by chelating trace metals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 262.02
    methanol 562.63
    isopropanol 168.39
    water 1606.84
    ethyl acetate 14.45
    n-propanol 144.97
    acetone 145.19
    n-butanol 80.19
    acetonitrile 59.48
    DMF 878.23
    toluene 3.9
    isobutanol 74.45
    1,4-dioxane 69.64
    methyl acetate 32.63
    THF 148.87
    2-butanone 35.58
    n-pentanol 50.82
    sec-butanol 67.51
    n-hexane 4.1
    ethylene glycol 611.77
    NMP 265.72
    cyclohexane 5.06
    DMSO 617.01
    n-butyl acetate 13.36
    n-octanol 15.73
    chloroform 6.19
    n-propyl acetate 16.35
    acetic acid 209.95
    dichloromethane 10.65
    cyclohexanone 33.33
    propylene glycol 345.79
    isopropyl acetate 11.22
    DMAc 325.99
    2-ethoxyethanol 183.6
    isopentanol 42.76
    n-heptane 5.35
    ethyl formate 40.82
    1,2-dichloroethane 13.23
    n-hexanol 36.53
    2-methoxyethanol 386.13
    isobutyl acetate 8.81
    tetrachloromethane 4.12
    n-pentyl acetate 11.3
    transcutol 95.98
    n-heptanol 25.52
    ethylbenzene 2.55
    MIBK 15.75
    2-propoxyethanol 129.39
    tert-butanol 123.29
    MTBE 17.73
    2-butoxyethanol 74.4
    propionic acid 96.53
    o-xylene 5.13
    formic acid 471.44
    diethyl ether 24.04
    m-xylene 4.43
    p-xylene 3.3
    chlorobenzene 3.02
    dimethyl carbonate 41.01
    n-octane 1.77
    formamide 540.27
    cyclopentanone 74.75
    2-pentanone 26.37
    anisole 10.24
    cyclopentyl methyl ether 34.73
    gamma-butyrolactone 89.94
    1-methoxy-2-propanol 221.14
    pyridine 27.42
    3-pentanone 17.69
    furfural 82.64
    n-dodecane 1.2
    diethylene glycol 224.5
    diisopropyl ether 7.06
    tert-amyl alcohol 51.09
    acetylacetone 31.37
    n-hexadecane 1.24
    acetophenone 14.15
    methyl propionate 29.35
    isopentyl acetate 9.1
    trichloroethylene 11.5
    n-nonanol 13.93
    cyclohexanol 35.01
    benzyl alcohol 23.08
    2-ethylhexanol 11.86
    isooctanol 15.0
    dipropyl ether 19.09
    1,2-dichlorobenzene 3.21
    ethyl lactate 34.45
    propylene carbonate 30.8
    n-methylformamide 388.02
    2-pentanol 37.68
    n-pentane 6.64
    1-propoxy-2-propanol 70.76
    1-methoxy-2-propyl acetate 21.67
    2-(2-methoxypropoxy) propanol 40.88
    mesitylene 4.01
    ε-caprolactone 30.01
    p-cymene 3.82
    epichlorohydrin 56.49
    1,1,1-trichloroethane 5.34
    2-aminoethanol 490.23
    morpholine-4-carbaldehyde 214.65
    sulfolane 132.4
    2,2,4-trimethylpentane 1.78
    2-methyltetrahydrofuran 40.72
    n-hexyl acetate 11.58
    isooctane 1.73
    2-(2-butoxyethoxy)ethanol 60.6
    sec-butyl acetate 7.56
    tert-butyl acetate 12.7
    decalin 1.45
    glycerin 516.23
    diglyme 107.31
    acrylic acid 125.78
    isopropyl myristate 5.67
    n-butyric acid 53.45
    acetyl acetate 10.78
    di(2-ethylhexyl) phthalate 10.55
    ethyl propionate 14.09
    nitromethane 204.42
    1,2-diethoxyethane 17.57
    benzonitrile 10.74
    trioctyl phosphate 9.98
    1-bromopropane 6.28
    gamma-valerolactone 110.29
    n-decanol 10.69
    triethyl phosphate 10.12
    4-methyl-2-pentanol 17.73
    propionitrile 29.33
    vinylene carbonate 28.04
    1,1,2-trichlorotrifluoroethane 91.78
    DMS 12.21
    cumene 2.75
    2-octanol 11.96
    2-hexanone 17.05
    octyl acetate 9.23
    limonene 5.31
    1,2-dimethoxyethane 147.81
    ethyl orthosilicate 9.53
    tributyl phosphate 9.12
    diacetone alcohol 43.75
    N,N-dimethylaniline 16.25
    acrylonitrile 49.74
    aniline 17.9
    1,3-propanediol 276.92
    bromobenzene 1.71
    dibromomethane 6.57
    1,1,2,2-tetrachloroethane 12.74
    2-methyl-cyclohexyl acetate 9.8
    tetrabutyl urea 17.74
    diisobutyl methanol 8.47
    2-phenylethanol 17.6
    styrene 2.94
    dioctyl adipate 10.94
    dimethyl sulfate 74.43
    ethyl butyrate 12.52
    methyl lactate 79.5
    butyl lactate 24.0
    diethyl carbonate 9.15
    propanediol butyl ether 67.16
    triethyl orthoformate 12.15
    p-tert-butyltoluene 4.17
    methyl 4-tert-butylbenzoate 22.51
    morpholine 124.35
    tert-butylamine 58.07
    n-dodecanol 8.57
    dimethoxymethane 202.63
    ethylene carbonate 24.7
    cyrene 62.06
    2-ethoxyethyl acetate 15.21
    2-ethylhexyl acetate 6.9
    1,2,4-trichlorobenzene 4.28
    4-methylpyridine 19.56
    dibutyl ether 7.01
    2,6-dimethyl-4-heptanol 8.47
    DEF 58.04
    dimethyl isosorbide 52.47
    tetrachloroethylene 11.92
    eugenol 35.84
    triacetin 17.72
    span 80 40.98
    1,4-butanediol 156.73
    1,1-dichloroethane 7.65
    2-methyl-1-pentanol 21.56
    methyl formate 217.31
    2-methyl-1-butanol 39.89
    n-decane 1.65
    butyronitrile 23.7
    3,7-dimethyl-1-octanol 8.81
    1-chlorooctane 3.51
    1-chlorotetradecane 2.0
    n-nonane 1.68
    undecane 1.35
    tert-butylcyclohexane 1.41
    cyclooctane 2.46
    cyclopentanol 81.77
    tetrahydropyran 32.01
    tert-amyl methyl ether 14.33
    2,5,8-trioxanonane 84.07
    1-hexene 6.54
    2-isopropoxyethanol 80.66
    2,2,2-trifluoroethanol 150.34
    methyl butyrate 21.3

    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