Ammonium 2-(4-nonylphenoxy)ethyl sulfate

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  • Identifiers

    CAS number
    31691-97-1

    Molecular formula
    C17H31NO5S

    SMILES
    CCCCCCCCCC1=CC=C(C=C1)OCCOS(=O)(=O)[O-].[NH4+]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 50.75%
    Fatty 26.94%
    Waxy 25.07%
    Fresh 22.62%
    Balsamic 18.81%
    Oily 18.47%
    Citrus 18.43%
    Savory 18.41%
    Clean 17.34%
    Milky 17.32%

     

    Flavor
    Bitter 28.76%
    Waxy 26.78%
    Mild 26.32%
    Oily 25.96%
    Herbal 25.54%
    Bland 23.13%
    Odorless 20.91%
    Green 19.76%
    Heather 19.24%
    Slightly waxy 19.24%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.92 (neutral)

    Molecular weight
    361.5 g/mol

    Flash point

    • 189.7 ˚C est.

  • Synonyms

    • ammonium 2-(4-nonylphenoxy)ethyl sulfate
    • 31691-97-1
    • azanium;2-(4-nonylphenoxy)ethyl sulfate
    • NS00013362
    • 31691-97-1

  • Applications

    Ammonium 2-(4-nonylphenoxy)ethyl sulfate (CAS 31691-97-1) is an anionic surfactant used as a wetting, dispersing and emulsifying agent in various formulations. In coatings and paints, it aids pigment dispersion and stabilizes emulsions; in detergents and household cleaners it functions as a primary surfactant to reduce surface tension and improve cleaning performance. In textile finishing and leather processing, it serves as a wetting and leveling aid to improve substrate treatment. In polymer and plastics processing, it can act as an emulsifier or processing aid in polymerization. In agricultural formulations, it can be used as an adjuvant to enhance spray deposition and leaf coverage. It may also serve as a dispersant in paper processing and other specialty formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.92
    methanol 47.45
    isopropanol 17.98
    water 0.03
    ethyl acetate 87.56
    n-propanol 24.71
    acetone 161.71
    n-butanol 16.72
    acetonitrile 49.79
    DMF 368.44
    toluene 19.64
    isobutanol 13.32
    1,4-dioxane 77.25
    methyl acetate 90.63
    THF 174.1
    2-butanone 133.14
    n-pentanol 18.63
    sec-butanol 21.0
    n-hexane 0.31
    ethylene glycol 4.19
    NMP 317.86
    cyclohexane 1.14
    DMSO 350.05
    n-butyl acetate 47.89
    n-octanol 7.66
    chloroform 168.47
    n-propyl acetate 62.64
    acetic acid 60.39
    dichloromethane 229.42
    cyclohexanone 165.34
    propylene glycol 11.19
    isopropyl acetate 58.14
    DMAc 530.92
    2-ethoxyethanol 88.86
    isopentanol 16.59
    n-heptane 0.39
    ethyl formate 41.23
    1,2-dichloroethane 178.65
    n-hexanol 12.64
    2-methoxyethanol 107.27
    isobutyl acetate 32.62
    tetrachloromethane 10.03
    n-pentyl acetate 39.04
    transcutol 291.86
    n-heptanol 8.79
    ethylbenzene 11.15
    MIBK 48.77
    2-propoxyethanol 61.36
    tert-butanol 27.64
    MTBE 36.76
    2-butoxyethanol 39.26
    propionic acid 36.42
    o-xylene 16.74
    formic acid 24.46
    diethyl ether 25.51
    m-xylene 13.14
    p-xylene 15.47
    chlorobenzene 48.34
    dimethyl carbonate 45.68
    n-octane 0.36
    formamide 86.61
    cyclopentanone 232.59
    2-pentanone 83.21
    anisole 60.49
    cyclopentyl methyl ether 49.09
    gamma-butyrolactone 208.98
    1-methoxy-2-propanol 83.17
    pyridine 109.68
    3-pentanone 74.58
    furfural 179.8
    n-dodecane 0.43
    diethylene glycol 41.29
    diisopropyl ether 7.53
    tert-amyl alcohol 30.77
    acetylacetone 181.95
    n-hexadecane 0.52
    acetophenone 85.37
    methyl propionate 81.36
    isopentyl acetate 44.77
    trichloroethylene 344.09
    n-nonanol 8.51
    cyclohexanol 18.08
    benzyl alcohol 44.79
    2-ethylhexanol 9.09
    isooctanol 8.54
    dipropyl ether 11.48
    1,2-dichlorobenzene 63.71
    ethyl lactate 33.84
    propylene carbonate 99.43
    n-methylformamide 93.78
    2-pentanol 11.12
    n-pentane 0.32
    1-propoxy-2-propanol 43.09
    1-methoxy-2-propyl acetate 83.27
    2-(2-methoxypropoxy) propanol 64.46
    mesitylene 8.24
    ε-caprolactone 124.52
    p-cymene 8.03
    epichlorohydrin 285.47
    1,1,1-trichloroethane 97.14
    2-aminoethanol 16.98
    morpholine-4-carbaldehyde 232.7
    sulfolane 304.68
    2,2,4-trimethylpentane 0.69
    2-methyltetrahydrofuran 84.89
    n-hexyl acetate 38.84
    isooctane 0.41
    2-(2-butoxyethoxy)ethanol 74.17
    sec-butyl acetate 43.09
    tert-butyl acetate 79.31
    decalin 1.22
    glycerin 21.32
    diglyme 175.87
    acrylic acid 34.7
    isopropyl myristate 14.98
    n-butyric acid 52.25
    acetyl acetate 72.57
    di(2-ethylhexyl) phthalate 22.11
    ethyl propionate 51.46
    nitromethane 245.6
    1,2-diethoxyethane 70.14
    benzonitrile 50.29
    trioctyl phosphate 11.97
    1-bromopropane 37.54
    gamma-valerolactone 308.08
    n-decanol 6.26
    triethyl phosphate 27.57
    4-methyl-2-pentanol 8.39
    propionitrile 32.78
    vinylene carbonate 84.72
    1,1,2-trichlorotrifluoroethane 181.81
    DMS 61.02
    cumene 7.79
    2-octanol 6.42
    2-hexanone 61.2
    octyl acetate 20.28
    limonene 11.83
    1,2-dimethoxyethane 149.08
    ethyl orthosilicate 24.49
    tributyl phosphate 18.01
    diacetone alcohol 91.62
    N,N-dimethylaniline 38.39
    acrylonitrile 55.36
    aniline 35.11
    1,3-propanediol 24.6
    bromobenzene 53.28
    dibromomethane 103.75
    1,1,2,2-tetrachloroethane 266.39
    2-methyl-cyclohexyl acetate 41.84
    tetrabutyl urea 30.07
    diisobutyl methanol 7.37
    2-phenylethanol 35.07
    styrene 18.25
    dioctyl adipate 35.21
    dimethyl sulfate 121.83
    ethyl butyrate 40.39
    methyl lactate 46.6
    butyl lactate 37.43
    diethyl carbonate 31.37
    propanediol butyl ether 36.64
    triethyl orthoformate 31.33
    p-tert-butyltoluene 7.9
    methyl 4-tert-butylbenzoate 65.65
    morpholine 115.86
    tert-butylamine 11.32
    n-dodecanol 4.75
    dimethoxymethane 138.64
    ethylene carbonate 63.12
    cyrene 78.95
    2-ethoxyethyl acetate 90.61
    2-ethylhexyl acetate 33.63
    1,2,4-trichlorobenzene 84.4
    4-methylpyridine 91.79
    dibutyl ether 13.27
    2,6-dimethyl-4-heptanol 7.37
    DEF 133.56
    dimethyl isosorbide 136.52
    tetrachloroethylene 127.07
    eugenol 58.69
    triacetin 86.05
    span 80 42.52
    1,4-butanediol 12.95
    1,1-dichloroethane 100.52
    2-methyl-1-pentanol 18.97
    methyl formate 60.03
    2-methyl-1-butanol 16.04
    n-decane 0.72
    butyronitrile 28.83
    3,7-dimethyl-1-octanol 10.44
    1-chlorooctane 5.49
    1-chlorotetradecane 2.39
    n-nonane 0.56
    undecane 0.54
    tert-butylcyclohexane 0.96
    cyclooctane 0.37
    cyclopentanol 24.99
    tetrahydropyran 52.97
    tert-amyl methyl ether 31.05
    2,5,8-trioxanonane 130.2
    1-hexene 3.13
    2-isopropoxyethanol 53.75
    2,2,2-trifluoroethanol 27.88
    methyl butyrate 74.72

    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