1-Hexadecanaminium, N,N,N-trimethyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)

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  • Identifiers

    CAS number
    2478-29-7

    Molecular formula
    C26H46N2O3S

    SMILES
    CCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]

    Safety labels

  • Odor profile

    Fragrance
    Waxy 76.65%
    Fatty 40.19%
    Oily 35.44%
    Odorless 20.96%
    Fishy 20.44%
    Sweet 20.0%
    Meaty 18.04%
    Clean 17.71%
    Burnt 16.78%
    Savory 16.27%

     

    Flavor
    Waxy 33.83%
    Alkane 33.56%
    Bland 28.66%
    Mild 26.42%
    Delicate 23.01%
    Slightly waxy 21.66%
    Diterpene 20.34%
    Leathery 20.06%
    Low 20.0%
    Oriental 19.86%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    8.46 (weak base)

    Molecular weight
    466.7 g/mol

    Flash point

    • 82.7 ˚C est.

  • Synonyms

    • Cetrimonium saccharinate
    • 2478-29-7
    • Cetyltrimethylammonium saccharinate
    • UNII-7LB6MR3885
    • 7LB6MR3885
    • EINECS 219-608-4
    • PIONIN B 611S
    • 1-Hexadecanaminium, N,N,N-trimethyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)
    • CETYLTRIMETHYLAMMONIUM BENZOSULFIMIDE
    • Hexadecyltrimethylammonium, salt with 1,2-benzisothiazol-3(2H)-one1,1-dioxide (1:1)
    • 1-Hexadecanaminium, N,N,N-trimethyl-, salt with 1,2-benzisothiazol-3(2H)-one, 1,1-dioxide (1:1)
    • RefChem:75883
    • DTXCID701023335
    • CETRIMONIUM SACCHARINATE [INCI]
    • 219-608-4
    • DTXSID60883851
    • 1,1-dioxo-1,2-benzothiazol-3-olate;hexadecyl(trimethyl)azanium
    • SCHEMBL8526166
    • SCHEMBL29623712
    • GDORIPGFFDIMOW-UHFFFAOYSA-M
    • Q27268510
    • 2478-29-7

  • Applications

    Chemical name: 1-Hexadecanaminium, N,N,N-trimethyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1); CAS 2478-29-7. This quaternary ammonium salt carries a cationic surfactant character and antimicrobial potential derived from the 1,2-benzisothiazolinone dioxide moiety, making it a candidate as a surfactant and antimicrobial additive in formulations. Real-world use cases include (1) cationic surfactant in cleaning and personal care products; (2) antimicrobial/biocidal component in cosmetics and personal care lines; (3) functional additive for coatings, paints, inks, and adhesives to impart antimicrobial performance and dispersion; (4) additive for polymers/plastics to enhance antimicrobial properties and processing compatibility; (5) antimicrobial constituent in household and industrial cleaners such as detergents and surface cleaners, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 322.7
    methanol 143.57
    isopropanol 469.35
    water 0.05
    ethyl acetate 1743.95
    n-propanol 584.21
    acetone 843.46
    n-butanol 889.93
    acetonitrile 241.92
    DMF 539.1
    toluene 1050.56
    isobutanol 681.66
    1,4-dioxane 1889.52
    methyl acetate 860.13
    THF 3294.26
    2-butanone 1197.71
    n-pentanol 567.25
    sec-butanol 773.46
    n-hexane 1368.34
    ethylene glycol 18.78
    NMP 1096.51
    cyclohexane 4597.43
    DMSO 657.17
    n-butyl acetate 2728.3
    n-octanol 629.8
    chloroform 3635.77
    n-propyl acetate 1765.8
    acetic acid 340.45
    dichloromethane 2813.74
    cyclohexanone 3219.26
    propylene glycol 70.21
    isopropyl acetate 1779.54
    DMAc 956.06
    2-ethoxyethanol 617.96
    isopentanol 1048.29
    n-heptane 2661.16
    ethyl formate 600.5
    1,2-dichloroethane 2006.43
    n-hexanol 1000.28
    2-methoxyethanol 602.38
    isobutyl acetate 1419.39
    tetrachloromethane 1474.77
    n-pentyl acetate 1929.92
    transcutol 2656.96
    n-heptanol 737.82
    ethylbenzene 654.99
    MIBK 1419.02
    2-propoxyethanol 1093.1
    tert-butanol 1047.81
    MTBE 2238.46
    2-butoxyethanol 1050.9
    propionic acid 488.16
    o-xylene 835.01
    formic acid 34.71
    diethyl ether 2381.33
    m-xylene 790.69
    p-xylene 939.2
    chlorobenzene 968.56
    dimethyl carbonate 270.7
    n-octane 634.52
    formamide 53.53
    cyclopentanone 2141.29
    2-pentanone 1689.87
    anisole 747.07
    cyclopentyl methyl ether 3270.13
    gamma-butyrolactone 1684.05
    1-methoxy-2-propanol 756.2
    pyridine 1169.93
    3-pentanone 1543.51
    furfural 970.49
    n-dodecane 199.7
    diethylene glycol 278.02
    diisopropyl ether 1472.77
    tert-amyl alcohol 1217.78
    acetylacetone 1273.54
    n-hexadecane 240.26
    acetophenone 770.0
    methyl propionate 1027.25
    isopentyl acetate 2461.68
    trichloroethylene 2765.45
    n-nonanol 647.67
    cyclohexanol 1946.48
    benzyl alcohol 414.29
    2-ethylhexanol 1473.3
    isooctanol 864.97
    dipropyl ether 4011.72
    1,2-dichlorobenzene 1001.86
    ethyl lactate 484.26
    propylene carbonate 1226.79
    n-methylformamide 192.86
    2-pentanol 983.54
    n-pentane 1150.86
    1-propoxy-2-propanol 1637.71
    1-methoxy-2-propyl acetate 1650.92
    2-(2-methoxypropoxy) propanol 641.01
    mesitylene 706.22
    ε-caprolactone 2438.35
    p-cymene 864.56
    epichlorohydrin 1915.91
    1,1,1-trichloroethane 3064.45
    2-aminoethanol 87.96
    morpholine-4-carbaldehyde 1150.52
    sulfolane 2061.19
    2,2,4-trimethylpentane 657.83
    2-methyltetrahydrofuran 3305.95
    n-hexyl acetate 1701.19
    isooctane 453.96
    2-(2-butoxyethoxy)ethanol 986.27
    sec-butyl acetate 1687.73
    tert-butyl acetate 2286.3
    decalin 926.46
    glycerin 91.49
    diglyme 2549.08
    acrylic acid 247.76
    isopropyl myristate 801.97
    n-butyric acid 1320.6
    acetyl acetate 970.53
    di(2-ethylhexyl) phthalate 362.35
    ethyl propionate 1549.81
    nitromethane 488.8
    1,2-diethoxyethane 2352.33
    benzonitrile 563.68
    trioctyl phosphate 390.27
    1-bromopropane 2301.14
    gamma-valerolactone 2087.85
    n-decanol 441.48
    triethyl phosphate 943.42
    4-methyl-2-pentanol 763.81
    propionitrile 532.32
    vinylene carbonate 806.35
    1,1,2-trichlorotrifluoroethane 1308.64
    DMS 710.09
    cumene 545.63
    2-octanol 644.9
    2-hexanone 1414.65
    octyl acetate 793.56
    limonene 1891.34
    1,2-dimethoxyethane 1819.09
    ethyl orthosilicate 1186.83
    tributyl phosphate 511.48
    diacetone alcohol 1326.62
    N,N-dimethylaniline 627.72
    acrylonitrile 323.83
    aniline 684.08
    1,3-propanediol 250.67
    bromobenzene 1243.99
    dibromomethane 2401.15
    1,1,2,2-tetrachloroethane 3288.23
    2-methyl-cyclohexyl acetate 1537.34
    tetrabutyl urea 666.55
    diisobutyl methanol 1218.17
    2-phenylethanol 524.22
    styrene 639.79
    dioctyl adipate 836.1
    dimethyl sulfate 449.81
    ethyl butyrate 2589.64
    methyl lactate 306.76
    butyl lactate 953.11
    diethyl carbonate 1220.57
    propanediol butyl ether 500.84
    triethyl orthoformate 2247.34
    p-tert-butyltoluene 884.97
    methyl 4-tert-butylbenzoate 940.4
    morpholine 2056.71
    tert-butylamine 1121.86
    n-dodecanol 343.64
    dimethoxymethane 796.43
    ethylene carbonate 1013.29
    cyrene 524.42
    2-ethoxyethyl acetate 1516.1
    2-ethylhexyl acetate 2354.01
    1,2,4-trichlorobenzene 1116.68
    4-methylpyridine 1215.96
    dibutyl ether 2508.52
    2,6-dimethyl-4-heptanol 1218.17
    DEF 1641.85
    dimethyl isosorbide 1264.8
    tetrachloroethylene 2229.08
    eugenol 545.94
    triacetin 1260.71
    span 80 756.71
    1,4-butanediol 103.72
    1,1-dichloroethane 2175.54
    2-methyl-1-pentanol 718.12
    methyl formate 169.09
    2-methyl-1-butanol 955.23
    n-decane 491.55
    butyronitrile 867.88
    3,7-dimethyl-1-octanol 862.61
    1-chlorooctane 1120.14
    1-chlorotetradecane 373.32
    n-nonane 583.66
    undecane 287.79
    tert-butylcyclohexane 761.88
    cyclooctane 1464.62
    cyclopentanol 1272.04
    tetrahydropyran 4288.44
    tert-amyl methyl ether 2079.23
    2,5,8-trioxanonane 1131.65
    1-hexene 1592.55
    2-isopropoxyethanol 725.23
    2,2,2-trifluoroethanol 156.55
    methyl butyrate 1926.34

    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