ammonium 4,8-dioxa-3H-perfluorononanoate

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  • Identifiers

    CAS number
    958445-44-8

    Molecular formula
    C7H5F12NO4

    SMILES
    C(C(C(=O)[O-])(F)F)(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F.[NH4+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 57.76%
    Sweet 32.67%
    Cooling 23.13%
    Woody 20.74%
    Balsamic 20.16%
    Savory 18.87%
    Clean 18.09%
    Dry 17.0%
    Mint 16.07%
    Fresh 15.51%

     

    Flavor
    Odorless 42.72%
    Bitter 33.25%
    Bland 27.07%
    Mild 20.57%
    Sweet-like 19.88%
    Bouillon 17.39%
    Nitrile 17.29%
    Oriental 17.11%
    Bloody 17.07%
    Rotten 17.06%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    3.57 (weak acid)

    Molecular weight
    395.1 g/mol

    Flash point

    • 42.57 ˚C est.

  • Synonyms

    • Ammonium 4,8-dioxa-3H-perfluorononanoate
    • DTXSID00874026
    • ADONA cpd
    • propanoic acid, 2,2,3-trifluoro-3-(1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy)-, ammonium salt (1:1)
    • Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, ammonium salt (1:1)
    • RefChem:112132
    • DTXCID001079632
    • ADONA ammonium 4,8-dioxa-3H-perfluorononanoate
    • 958445-44-8
    • Ammonium 2,2,3-trifluoro-3-(1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy)propanoate
    • Ammonium 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate
    • LYR4WFU3BX
    • DODECAFLUORO-3H-4,8-DIOXANONANOATE
    • NS00108850
    • 958445-44-8

  • Applications

    ammonium 4,8-dioxa-3H-perfluorononanoate (CAS 958445-44-8) is a fluorinated ether carboxylate commonly used as an anionic surfactant and processing aid in industrial formulations. In coatings and inks, it acts as a wetting agent and pigment-dispersion stabilizer to improve flow, leveling, and adhesion. In polymer processing, it serves as an emulsifier/surfactant to aid polymerization and compatibility between formulations and substrates, including both fluorinated and non-fluorinated polymers. In industrial cleaning, it functions as a surfactant to enhance degreasing and surface wetting. In electronics-related manufacturing, it may be employed in specialty cleaning or surface-treatment formulations as a surfactant. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 780.19
    methanol 2376.31
    isopropanol 361.21
    water 309.7
    ethyl acetate 218.84
    n-propanol 407.01
    acetone 821.12
    n-butanol 233.63
    acetonitrile 306.84
    DMF 2984.46
    toluene 73.6
    isobutanol 186.42
    1,4-dioxane 284.53
    methyl acetate 246.03
    THF 857.51
    2-butanone 348.65
    n-pentanol 141.7
    sec-butanol 211.88
    n-hexane 13.16
    ethylene glycol 626.06
    NMP 1735.95
    cyclohexane 31.16
    DMSO 5691.11
    n-butyl acetate 97.16
    n-octanol 71.62
    chloroform 69.16
    n-propyl acetate 130.77
    acetic acid 451.28
    dichloromethane 162.22
    cyclohexanone 271.48
    propylene glycol 408.87
    isopropyl acetate 119.13
    DMAc 1775.09
    2-ethoxyethanol 654.95
    isopentanol 134.1
    n-heptane 28.3
    ethyl formate 274.96
    1,2-dichloroethane 179.63
    n-hexanol 118.75
    2-methoxyethanol 1336.27
    isobutyl acetate 39.01
    tetrachloromethane 14.12
    n-pentyl acetate 73.31
    transcutol 564.44
    n-heptanol 73.84
    ethylbenzene 26.96
    MIBK 137.23
    2-propoxyethanol 478.5
    tert-butanol 293.3
    MTBE 140.45
    2-butoxyethanol 220.74
    propionic acid 240.64
    o-xylene 65.25
    formic acid 1014.92
    diethyl ether 252.55
    m-xylene 47.02
    p-xylene 23.28
    chlorobenzene 26.16
    dimethyl carbonate 345.49
    n-octane 11.5
    formamide 1604.63
    cyclopentanone 485.18
    2-pentanone 310.0
    anisole 97.23
    cyclopentyl methyl ether 261.11
    gamma-butyrolactone 574.31
    1-methoxy-2-propanol 861.79
    pyridine 247.9
    3-pentanone 236.69
    furfural 431.72
    n-dodecane 6.84
    diethylene glycol 561.14
    diisopropyl ether 54.87
    tert-amyl alcohol 201.8
    acetylacetone 333.41
    n-hexadecane 7.2
    acetophenone 127.52
    methyl propionate 347.81
    isopentyl acetate 50.23
    trichloroethylene 144.63
    n-nonanol 70.28
    cyclohexanol 131.53
    benzyl alcohol 120.61
    2-ethylhexanol 52.06
    isooctanol 44.06
    dipropyl ether 141.59
    1,2-dichlorobenzene 22.4
    ethyl lactate 181.79
    propylene carbonate 199.27
    n-methylformamide 1559.52
    2-pentanol 144.46
    n-pentane 35.53
    1-propoxy-2-propanol 285.57
    1-methoxy-2-propyl acetate 174.61
    2-(2-methoxypropoxy) propanol 200.67
    mesitylene 31.8
    ε-caprolactone 224.1
    p-cymene 28.73
    epichlorohydrin 447.84
    1,1,1-trichloroethane 35.94
    2-aminoethanol 645.17
    morpholine-4-carbaldehyde 957.56
    sulfolane 1171.09
    2,2,4-trimethylpentane 7.85
    2-methyltetrahydrofuran 276.05
    n-hexyl acetate 81.38
    isooctane 4.77
    2-(2-butoxyethoxy)ethanol 273.03
    sec-butyl acetate 58.47
    tert-butyl acetate 109.51
    decalin 6.47
    glycerin 594.98
    diglyme 478.98
    acrylic acid 293.47
    isopropyl myristate 39.17
    n-butyric acid 205.1
    acetyl acetate 97.44
    di(2-ethylhexyl) phthalate 37.67
    ethyl propionate 146.55
    nitromethane 1105.5
    1,2-diethoxyethane 154.37
    benzonitrile 62.53
    trioctyl phosphate 39.26
    1-bromopropane 97.3
    gamma-valerolactone 634.61
    n-decanol 55.95
    triethyl phosphate 56.0
    4-methyl-2-pentanol 66.12
    propionitrile 184.86
    vinylene carbonate 185.71
    1,1,2-trichlorotrifluoroethane 360.34
    DMS 97.2
    cumene 16.63
    2-octanol 45.24
    2-hexanone 137.11
    octyl acetate 59.87
    limonene 46.68
    1,2-dimethoxyethane 693.39
    ethyl orthosilicate 47.41
    tributyl phosphate 37.4
    diacetone alcohol 249.9
    N,N-dimethylaniline 118.9
    acrylonitrile 280.71
    aniline 124.86
    1,3-propanediol 474.33
    bromobenzene 20.81
    dibromomethane 105.81
    1,1,2,2-tetrachloroethane 124.38
    2-methyl-cyclohexyl acetate 52.21
    tetrabutyl urea 105.89
    diisobutyl methanol 34.12
    2-phenylethanol 90.19
    styrene 31.82
    dioctyl adipate 63.91
    dimethyl sulfate 610.3
    ethyl butyrate 104.62
    methyl lactate 439.32
    butyl lactate 109.98
    diethyl carbonate 65.23
    propanediol butyl ether 200.76
    triethyl orthoformate 73.4
    p-tert-butyltoluene 29.3
    methyl 4-tert-butylbenzoate 130.4
    morpholine 489.64
    tert-butylamine 151.47
    n-dodecanol 42.3
    dimethoxymethane 1374.33
    ethylene carbonate 154.68
    cyrene 285.9
    2-ethoxyethyl acetate 119.37
    2-ethylhexyl acetate 37.74
    1,2,4-trichlorobenzene 29.35
    4-methylpyridine 206.22
    dibutyl ether 60.53
    2,6-dimethyl-4-heptanol 34.12
    DEF 540.96
    dimethyl isosorbide 287.08
    tetrachloroethylene 99.52
    eugenol 131.27
    triacetin 115.42
    span 80 139.26
    1,4-butanediol 236.89
    1,1-dichloroethane 72.61
    2-methyl-1-pentanol 72.63
    methyl formate 987.66
    2-methyl-1-butanol 139.26
    n-decane 11.31
    butyronitrile 139.69
    3,7-dimethyl-1-octanol 42.29
    1-chlorooctane 25.84
    1-chlorotetradecane 12.25
    n-nonane 11.7
    undecane 8.69
    tert-butylcyclohexane 4.34
    cyclooctane 15.98
    cyclopentanol 205.27
    tetrahydropyran 211.1
    tert-amyl methyl ether 138.52
    2,5,8-trioxanonane 384.39
    1-hexene 31.72
    2-isopropoxyethanol 278.94
    2,2,2-trifluoroethanol 265.87
    methyl butyrate 183.9

    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