2-(Perfluorohexyl)ethyl phosphonic acid

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  • Identifiers

    CAS number
    1203556-78-8

    Molecular formula
    C8H6F13O3P

    SMILES
    C(CP(=O)(O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 61.46%
    Sweet 22.75%
    Woody 21.96%
    Cooling 20.8%
    Balsamic 18.93%
    Fishy 18.62%
    Savory 16.71%
    Clean 16.16%
    Dry 15.51%
    Animal 14.29%

     

    Flavor
    Odorless 41.04%
    Bitter 27.93%
    Bland 27.83%
    Mild 22.37%
    Sweet-like 19.19%
    Sulfurous 17.3%
    Bloody 17.25%
    Bouillon 17.24%
    Oriental 17.11%
    Glue 17.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    5.43 (weak acid)

    Molecular weight
    428.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point

    • 139.46 ˚C est.

  • Synonyms

    • (3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)phosphonic acid
    • 2-(perfluorohexyl)ethyl phosphonic acid
    • 1203556-78-8
    • RefChem:461762
    • 1203556-38-0
    • 680-286-7
    • 680-645-8
    • 680-795-4
    • 252237-40-4
    • Perfluorohexyl ethylphosphonic acid
    • 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylphosphonic acid
    • Cheminox FHP 2OH
    • (1H,1H,2H,2H-Tridecafluorooct-1-yl)phosphonic acid
    • 1H,1H,2H,2H-Perfluorooctanephosphonic acid
    • Phosphonic acid, p-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-
    • 2-(Perfluorohexyl)ethylphosphonic acid
    • UNII-4H915F99WT
    • 4H915F99WT
    • MFCD18910708
    • Phosphonic acid, (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-
    • EPF
    • (3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooct-1-yl)phosphonic acid
    • SCHEMBL578115
    • 6:2 FT-based phosphinic acid
    • C8H6F13O3P
    • DTXSID20179883
    • CKA23740
    • MSK160357
    • AKOS037647063
    • AS-72149
    • NS00018872
    • 1H,1H',2H,2H'-Perfluorooctyl-1-phosphonic acid
    • 1H,1H,2H,2H-Perfluorooctanephosphonic acid, 95%
    • Q27259591
    • 252237-40-4

  • Applications

    2-(Perfluorohexyl)ethyl phosphonic acid (CAS 1203556-78-8) is a surface-modifying and adhesion-promoting compound for coatings, inks, and adhesives on metal and inorganic substrates: the phosphonic acid head binds to oxide surfaces while the perfluorohexyl tail lowers surface energy, enabling improved wetting and adhesion. Consequently, it is often used as an interfacial coupling agent to enhance bonding in polymer/metal or ceramic composite systems. The molecule may serve as a corrosion or scale-inhibiting surface additive in industrial water-treatment or metal-processing contexts due to its strong oxide-binding capability. In electronics and optoelectronic device fabrication, it can be employed to form fluorinated self-assembled monolayers on oxide surfaces to tailor hydrophobicity and chemical resistance. In textile finishing and specialty coatings, it can impart oil/soil repellency and durable fluorinated surface characteristics on treated substrates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 162.33
    methanol 395.86
    isopropanol 83.5
    water 39.93
    ethyl acetate 54.52
    n-propanol 78.96
    acetone 192.46
    n-butanol 53.72
    acetonitrile 77.74
    DMF 560.85
    toluene 14.82
    isobutanol 41.75
    1,4-dioxane 73.64
    methyl acetate 72.5
    THF 211.51
    2-butanone 84.56
    n-pentanol 30.96
    sec-butanol 50.58
    n-hexane 2.19
    ethylene glycol 147.13
    NMP 465.17
    cyclohexane 5.58
    DMSO 1146.15
    n-butyl acetate 37.16
    n-octanol 18.89
    chloroform 22.93
    n-propyl acetate 32.29
    acetic acid 151.85
    dichloromethane 43.73
    cyclohexanone 66.86
    propylene glycol 110.79
    isopropyl acetate 34.0
    DMAc 414.05
    2-ethoxyethanol 141.94
    isopentanol 34.09
    n-heptane 5.94
    ethyl formate 65.43
    1,2-dichloroethane 44.37
    n-hexanol 34.48
    2-methoxyethanol 346.32
    isobutyl acetate 9.8
    tetrachloromethane 6.39
    n-pentyl acetate 25.35
    transcutol 160.3
    n-heptanol 22.96
    ethylbenzene 6.7
    MIBK 34.7
    2-propoxyethanol 127.0
    tert-butanol 78.42
    MTBE 33.99
    2-butoxyethanol 70.75
    propionic acid 72.69
    o-xylene 14.9
    formic acid 281.17
    diethyl ether 48.91
    m-xylene 10.9
    p-xylene 6.38
    chlorobenzene 7.05
    dimethyl carbonate 86.56
    n-octane 2.35
    formamide 466.09
    cyclopentanone 130.39
    2-pentanone 69.22
    anisole 23.1
    cyclopentyl methyl ether 59.13
    gamma-butyrolactone 167.23
    1-methoxy-2-propanol 216.65
    pyridine 67.19
    3-pentanone 50.09
    furfural 141.86
    n-dodecane 1.54
    diethylene glycol 158.67
    diisopropyl ether 12.46
    tert-amyl alcohol 54.25
    acetylacetone 101.86
    n-hexadecane 1.63
    acetophenone 35.57
    methyl propionate 79.35
    isopentyl acetate 22.61
    trichloroethylene 46.13
    n-nonanol 17.49
    cyclohexanol 31.85
    benzyl alcohol 31.99
    2-ethylhexanol 16.27
    isooctanol 14.11
    dipropyl ether 30.12
    1,2-dichlorobenzene 7.82
    ethyl lactate 44.56
    propylene carbonate 62.94
    n-methylformamide 315.77
    2-pentanol 33.42
    n-pentane 5.21
    1-propoxy-2-propanol 81.27
    1-methoxy-2-propyl acetate 67.72
    2-(2-methoxypropoxy) propanol 68.0
    mesitylene 7.8
    ε-caprolactone 64.71
    p-cymene 10.22
    epichlorohydrin 130.7
    1,1,1-trichloroethane 14.16
    2-aminoethanol 161.78
    morpholine-4-carbaldehyde 271.85
    sulfolane 329.68
    2,2,4-trimethylpentane 1.81
    2-methyltetrahydrofuran 77.47
    n-hexyl acetate 26.79
    isooctane 1.17
    2-(2-butoxyethoxy)ethanol 85.32
    sec-butyl acetate 16.5
    tert-butyl acetate 37.73
    decalin 1.62
    glycerin 169.63
    diglyme 152.95
    acrylic acid 96.75
    isopropyl myristate 11.49
    n-butyric acid 60.27
    acetyl acetate 38.0
    di(2-ethylhexyl) phthalate 15.4
    ethyl propionate 33.37
    nitromethane 309.26
    1,2-diethoxyethane 41.15
    benzonitrile 20.39
    trioctyl phosphate 13.89
    1-bromopropane 19.01
    gamma-valerolactone 180.04
    n-decanol 13.77
    triethyl phosphate 20.8
    4-methyl-2-pentanol 16.14
    propionitrile 40.12
    vinylene carbonate 55.31
    1,1,2-trichlorotrifluoroethane 140.68
    DMS 37.76
    cumene 4.85
    2-octanol 12.85
    2-hexanone 31.24
    octyl acetate 18.3
    limonene 15.83
    1,2-dimethoxyethane 144.28
    ethyl orthosilicate 17.3
    tributyl phosphate 13.27
    diacetone alcohol 84.97
    N,N-dimethylaniline 25.79
    acrylonitrile 69.69
    aniline 31.74
    1,3-propanediol 137.53
    bromobenzene 5.64
    dibromomethane 26.57
    1,1,2,2-tetrachloroethane 42.36
    2-methyl-cyclohexyl acetate 22.4
    tetrabutyl urea 30.39
    diisobutyl methanol 11.02
    2-phenylethanol 35.03
    styrene 7.23
    dioctyl adipate 21.7
    dimethyl sulfate 173.98
    ethyl butyrate 31.12
    methyl lactate 116.49
    butyl lactate 36.92
    diethyl carbonate 22.62
    propanediol butyl ether 60.93
    triethyl orthoformate 24.45
    p-tert-butyltoluene 10.52
    methyl 4-tert-butylbenzoate 49.5
    morpholine 127.57
    tert-butylamine 35.44
    n-dodecanol 10.26
    dimethoxymethane 291.37
    ethylene carbonate 42.88
    cyrene 96.27
    2-ethoxyethyl acetate 43.85
    2-ethylhexyl acetate 17.36
    1,2,4-trichlorobenzene 11.6
    4-methylpyridine 49.14
    dibutyl ether 12.34
    2,6-dimethyl-4-heptanol 11.02
    DEF 115.79
    dimethyl isosorbide 113.45
    tetrachloroethylene 32.63
    eugenol 48.22
    triacetin 46.33
    span 80 50.7
    1,4-butanediol 54.8
    1,1-dichloroethane 20.82
    2-methyl-1-pentanol 18.55
    methyl formate 223.5
    2-methyl-1-butanol 33.28
    n-decane 2.44
    butyronitrile 31.54
    3,7-dimethyl-1-octanol 12.24
    1-chlorooctane 6.64
    1-chlorotetradecane 3.11
    n-nonane 2.38
    undecane 1.92
    tert-butylcyclohexane 1.09
    cyclooctane 2.97
    cyclopentanol 53.07
    tetrahydropyran 45.7
    tert-amyl methyl ether 32.97
    2,5,8-trioxanonane 124.36
    1-hexene 6.04
    2-isopropoxyethanol 65.51
    2,2,2-trifluoroethanol 98.79
    methyl butyrate 41.12

    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