Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, sodium salt (1:2)

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  • Identifiers

    CAS number
    52871-18-8

    Molecular formula
    C22H41NNa2O6S

    SMILES
    CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 54.26%
    Savory 34.36%
    Meaty 29.55%
    Fatty 27.68%
    Cooling 23.1%
    Waxy 22.28%
    Oily 20.11%
    Milky 18.2%
    Fishy 18.17%
    Animal 17.13%

     

    Flavor
    Bitter 36.24%
    Bland 36.2%
    Odorless 34.99%
    Mild 25.19%
    Faint 20.43%
    Slightly waxy 19.85%
    Cedarleaf 19.24%
    Nitrile 18.8%
    Bay oil 18.75%
    Oriental 18.69%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    3.0 (weak acid)

    Molecular weight
    493.6 g/mol

    Flash point

    • 216.6 ˚C est.

  • Synonyms

    • Disodium 4-(octadecylamino)-4-oxo-2-sulphonatobutyrate
    • 52871-18-8
    • Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, disodium salt
    • Butanoic acid, 4-(octadecylamino)-4-oxo-2-sulfo-, disodium salt
    • Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, sodium salt (1:2)
    • RefChem:571531
    • 14481-60-8
    • EINECS 238-479-5
    • Disodium N-stearyl-2-sulfosuccinamate
    • disodium;4-(octadecylamino)-4-oxo-2-sulfonatobutanoate
    • 88NPU4K81J
    • disodium stearyl 2-sulfosuccinamate
    • disodium 4-(octadecylamino)-4-oxo-2-sulfonatobutanoate
    • Alcopol FA
    • Alkasurf SS-TA
    • Lipal NTD
    • Astromid 18
    • Lankropol ODS/LS
    • Aerosol 18
    • Octosol A 18
    • Stanfax 318
    • A 18 (surfactant)
    • UNII-88NPU4K81J
    • SCHEMBL272748
    • N-octadecyldisodiumsulfosuccinate
    • Butanedioic acid, sulfo-, monooctadecyl ester, disodium salt
    • DTXSID501014950
    • Butanedioic acid, 4-(octadecylamino)-4-oxo-2-sulfo-, disodium salt
    • NS00013632
    • NS00087169
    • Q27269948
    • Disodium,4-(octadecylamino)-4-oxo-2-sulfonatobutanoate
    • Sulfobutanedioic acid, monooctadecyl ester, disodium salt
    • 4-(octadecylamino)-4-oxo-2-sulfobutanoic acid, sodium salt
    • Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, sodium salt
    • 4-(Octadecylamino)-4-oxo-2-sulfobutanedioic acid, disodium salt
    • 14481-60-8

  • Applications

    Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, sodium salt (1:2) (CAS 52871-18-8) is an amphiphilic sulfonate with a long hydrophobic tail, commonly used as a surfactant and emulsifier in industrial formulations. Real-world applications include acting as a wetting agent, dispersant, and stabilizer for coatings and inks, and as an emulsifier in polymer latex and other polymerization systems. It is also used in cosmetic and personal care formulations as a surfactant and cleansing/conditioning component. In industrial manufacturing, it can serve as an additive to improve adhesion, disperse solid particles, and enhance formulation stability in adhesives and sealants. Depending on local regulations, it may be employed as an auxiliary surfactant or dispersing aid in cleaning products and related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.61
    methanol 3.87
    isopropanol 1.85
    water 0.11
    ethyl acetate 3.37
    n-propanol 2.4
    acetone 9.62
    n-butanol 1.87
    acetonitrile 2.81
    DMF 44.93
    toluene 2.41
    isobutanol 1.77
    1,4-dioxane 6.83
    methyl acetate 5.22
    THF 28.34
    2-butanone 8.75
    n-pentanol 2.14
    sec-butanol 2.16
    n-hexane 0.26
    ethylene glycol 0.9
    NMP 129.19
    cyclohexane 0.68
    DMSO 57.98
    n-butyl acetate 4.48
    n-octanol 1.97
    chloroform 18.88
    n-propyl acetate 5.24
    acetic acid 10.71
    dichloromethane 20.57
    cyclohexanone 24.49
    propylene glycol 1.94
    isopropyl acetate 3.45
    DMAc 100.37
    2-ethoxyethanol 7.91
    isopentanol 1.9
    n-heptane 0.22
    ethyl formate 4.29
    1,2-dichloroethane 12.39
    n-hexanol 1.45
    2-methoxyethanol 9.12
    isobutyl acetate 3.44
    tetrachloromethane 3.33
    n-pentyl acetate 6.8
    transcutol 27.1
    n-heptanol 1.83
    ethylbenzene 1.93
    MIBK 4.28
    2-propoxyethanol 6.72
    tert-butanol 3.16
    MTBE 2.72
    2-butoxyethanol 7.82
    propionic acid 5.52
    o-xylene 3.08
    formic acid 5.49
    diethyl ether 1.53
    m-xylene 2.0
    p-xylene 3.07
    chlorobenzene 4.59
    dimethyl carbonate 4.69
    n-octane 0.18
    formamide 11.42
    cyclopentanone 38.44
    2-pentanone 5.63
    anisole 4.95
    cyclopentyl methyl ether 8.28
    gamma-butyrolactone 35.99
    1-methoxy-2-propanol 7.6
    pyridine 12.13
    3-pentanone 6.02
    furfural 31.22
    n-dodecane 0.13
    diethylene glycol 4.61
    diisopropyl ether 0.79
    tert-amyl alcohol 3.78
    acetylacetone 11.99
    n-hexadecane 0.15
    acetophenone 11.61
    methyl propionate 5.42
    isopentyl acetate 5.17
    trichloroethylene 29.2
    n-nonanol 2.17
    cyclohexanol 3.88
    benzyl alcohol 4.95
    2-ethylhexanol 1.43
    isooctanol 1.84
    dipropyl ether 1.93
    1,2-dichlorobenzene 7.3
    ethyl lactate 5.77
    propylene carbonate 17.4
    n-methylformamide 12.04
    2-pentanol 1.32
    n-pentane 0.18
    1-propoxy-2-propanol 6.14
    1-methoxy-2-propyl acetate 8.18
    2-(2-methoxypropoxy) propanol 12.51
    mesitylene 1.57
    ε-caprolactone 22.22
    p-cymene 1.76
    epichlorohydrin 25.35
    1,1,1-trichloroethane 11.43
    2-aminoethanol 2.38
    morpholine-4-carbaldehyde 43.16
    sulfolane 107.92
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 12.55
    n-hexyl acetate 6.64
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 12.0
    sec-butyl acetate 3.85
    tert-butyl acetate 5.86
    decalin 0.57
    glycerin 4.8
    diglyme 25.3
    acrylic acid 6.39
    isopropyl myristate 2.43
    n-butyric acid 6.56
    acetyl acetate 4.33
    di(2-ethylhexyl) phthalate 4.34
    ethyl propionate 4.49
    nitromethane 21.65
    1,2-diethoxyethane 5.55
    benzonitrile 5.41
    trioctyl phosphate 2.58
    1-bromopropane 3.89
    gamma-valerolactone 47.84
    n-decanol 1.39
    triethyl phosphate 5.33
    4-methyl-2-pentanol 1.12
    propionitrile 2.45
    vinylene carbonate 14.12
    1,1,2-trichlorotrifluoroethane 32.34
    DMS 7.56
    cumene 1.76
    2-octanol 1.51
    2-hexanone 6.87
    octyl acetate 3.3
    limonene 2.6
    1,2-dimethoxyethane 14.37
    ethyl orthosilicate 4.84
    tributyl phosphate 3.72
    diacetone alcohol 11.0
    N,N-dimethylaniline 6.66
    acrylonitrile 4.12
    aniline 3.93
    1,3-propanediol 2.98
    bromobenzene 4.86
    dibromomethane 11.59
    1,1,2,2-tetrachloroethane 29.14
    2-methyl-cyclohexyl acetate 7.82
    tetrabutyl urea 8.06
    diisobutyl methanol 1.27
    2-phenylethanol 3.89
    styrene 2.27
    dioctyl adipate 6.1
    dimethyl sulfate 21.64
    ethyl butyrate 4.47
    methyl lactate 6.83
    butyl lactate 8.85
    diethyl carbonate 3.39
    propanediol butyl ether 8.23
    triethyl orthoformate 5.09
    p-tert-butyltoluene 1.76
    methyl 4-tert-butylbenzoate 14.7
    morpholine 11.75
    tert-butylamine 1.6
    n-dodecanol 0.92
    dimethoxymethane 9.46
    ethylene carbonate 10.11
    cyrene 23.0
    2-ethoxyethyl acetate 9.34
    2-ethylhexyl acetate 4.34
    1,2,4-trichlorobenzene 11.34
    4-methylpyridine 10.28
    dibutyl ether 2.24
    2,6-dimethyl-4-heptanol 1.27
    DEF 13.38
    dimethyl isosorbide 31.44
    tetrachloroethylene 16.74
    eugenol 12.66
    triacetin 14.02
    span 80 8.87
    1,4-butanediol 1.98
    1,1-dichloroethane 7.73
    2-methyl-1-pentanol 2.39
    methyl formate 8.15
    2-methyl-1-butanol 2.15
    n-decane 0.26
    butyronitrile 2.26
    3,7-dimethyl-1-octanol 1.94
    1-chlorooctane 1.45
    1-chlorotetradecane 0.52
    n-nonane 0.22
    undecane 0.18
    tert-butylcyclohexane 0.4
    cyclooctane 0.23
    cyclopentanol 6.62
    tetrahydropyran 6.75
    tert-amyl methyl ether 3.36
    2,5,8-trioxanonane 19.6
    1-hexene 0.95
    2-isopropoxyethanol 5.6
    2,2,2-trifluoroethanol 7.76
    methyl butyrate 7.72

    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