Benzyldimethyl(tetradecyl)ammonium, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)

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  • Identifiers

    CAS number
    23661-75-8

    Molecular formula
    C30H47N2O3S+

    SMILES
    CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 68.41%
    Fatty 42.14%
    Oily 37.27%
    Green 24.37%
    Balsamic 23.83%
    Sweet 21.4%
    Burnt 21.08%
    Fresh 20.68%
    Floral 20.67%
    Fishy 20.64%

     

    Flavor
    Waxy 25.14%
    Mild 24.84%
    Bland 24.2%
    Delicate 21.3%
    Slightly waxy 20.08%
    Diterpene 19.86%
    Low 19.21%
    Oriental 19.04%
    Skunky 18.7%
    Beer 18.59%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.93 (neutral)

    Molecular weight
    515.8 g/mol

    Flash point

    • 111.55 ˚C est.

  • Synonyms

    • EINECS 245-813-3
    • Benzyldimethyl(tetradecyl)ammonium, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)
    • 23661-75-8
    • RefChem:566948
    • 245-813-3
    • SCHEMBL27923387
    • 23661-75-8

  • Applications

    Benzyldimethyl(tetradecyl)ammonium, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1) is a quaternary ammonium salt that functions primarily as a cationic surfactant with antimicrobial characteristics. In practice, it may be used as an active component or preservative in cosmetics and personal care products, as a disinfectant or cleaning surfactant in household and institutional cleaners, and as an additive in industrial cleaners and metalworking fluids to enhance surface activity and biocidal performance. It can also be employed in coatings, inks, and polymer formulations to impart antimicrobial properties and modify surface characteristics, and may find use in textile and paper processing formulations where controlled surfactancy is needed. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 924.21
    methanol 371.59
    isopropanol 1038.16
    water 0.09
    ethyl acetate 3651.53
    n-propanol 1276.03
    acetone 3034.94
    n-butanol 1690.83
    acetonitrile 637.04
    DMF 1420.11
    toluene 1676.47
    isobutanol 1291.74
    1,4-dioxane 3795.65
    methyl acetate 1925.22
    THF 5552.33
    2-butanone 2673.4
    n-pentanol 1028.94
    sec-butanol 1256.31
    n-hexane 1206.89
    ethylene glycol 33.37
    NMP 1822.97
    cyclohexane 4200.35
    DMSO 1588.72
    n-butyl acetate 3947.36
    n-octanol 725.45
    chloroform 6515.72
    n-propyl acetate 3040.15
    acetic acid 686.77
    dichloromethane 6327.5
    cyclohexanone 5835.49
    propylene glycol 106.78
    isopropyl acetate 2987.11
    DMAc 1840.31
    2-ethoxyethanol 1150.39
    isopentanol 1797.19
    n-heptane 1868.76
    ethyl formate 1351.25
    1,2-dichloroethane 4712.79
    n-hexanol 1366.41
    2-methoxyethanol 1179.37
    isobutyl acetate 2183.49
    tetrachloromethane 2126.13
    n-pentyl acetate 2895.7
    transcutol 4027.28
    n-heptanol 899.18
    ethylbenzene 862.23
    MIBK 2434.33
    2-propoxyethanol 1634.63
    tert-butanol 1637.81
    MTBE 3620.43
    2-butoxyethanol 1439.69
    propionic acid 807.03
    o-xylene 1127.73
    formic acid 63.12
    diethyl ether 4487.17
    m-xylene 1111.89
    p-xylene 1197.15
    chlorobenzene 1872.12
    dimethyl carbonate 643.68
    n-octane 485.55
    formamide 123.16
    cyclopentanone 4039.57
    2-pentanone 3440.52
    anisole 1192.41
    cyclopentyl methyl ether 4583.78
    gamma-butyrolactone 3240.56
    1-methoxy-2-propanol 1211.04
    pyridine 2278.73
    3-pentanone 2800.45
    furfural 1727.31
    n-dodecane 158.67
    diethylene glycol 419.44
    diisopropyl ether 2006.11
    tert-amyl alcohol 1580.1
    acetylacetone 2753.66
    n-hexadecane 193.18
    acetophenone 1210.95
    methyl propionate 2077.84
    isopentyl acetate 3497.19
    trichloroethylene 5894.05
    n-nonanol 721.11
    cyclohexanol 2507.42
    benzyl alcohol 663.08
    2-ethylhexanol 1612.02
    isooctanol 983.29
    dipropyl ether 4852.08
    1,2-dichlorobenzene 1684.33
    ethyl lactate 696.18
    propylene carbonate 2063.44
    n-methylformamide 496.26
    2-pentanol 1516.57
    n-pentane 1100.47
    1-propoxy-2-propanol 1959.77
    1-methoxy-2-propyl acetate 2332.18
    2-(2-methoxypropoxy) propanol 755.0
    mesitylene 893.61
    ε-caprolactone 4064.02
    p-cymene 898.89
    epichlorohydrin 4053.03
    1,1,1-trichloroethane 5422.26
    2-aminoethanol 148.96
    morpholine-4-carbaldehyde 2009.59
    sulfolane 3253.8
    2,2,4-trimethylpentane 562.04
    2-methyltetrahydrofuran 4955.26
    n-hexyl acetate 2330.42
    isooctane 395.26
    2-(2-butoxyethoxy)ethanol 1294.6
    sec-butyl acetate 2291.61
    tert-butyl acetate 3425.46
    decalin 820.83
    glycerin 138.14
    diglyme 3434.26
    acrylic acid 405.41
    isopropyl myristate 910.75
    n-butyric acid 2354.33
    acetyl acetate 1839.53
    di(2-ethylhexyl) phthalate 439.93
    ethyl propionate 2493.73
    nitromethane 1340.11
    1,2-diethoxyethane 3501.92
    benzonitrile 981.72
    trioctyl phosphate 442.6
    1-bromopropane 4036.9
    gamma-valerolactone 4004.8
    n-decanol 485.88
    triethyl phosphate 1036.33
    4-methyl-2-pentanol 1040.94
    propionitrile 999.98
    vinylene carbonate 1500.32
    1,1,2-trichlorotrifluoroethane 2124.84
    DMS 1118.1
    cumene 663.99
    2-octanol 713.11
    2-hexanone 2389.43
    octyl acetate 982.19
    limonene 1919.14
    1,2-dimethoxyethane 3374.22
    ethyl orthosilicate 1242.23
    tributyl phosphate 573.2
    diacetone alcohol 1967.36
    N,N-dimethylaniline 863.06
    acrylonitrile 675.33
    aniline 1152.74
    1,3-propanediol 465.83
    bromobenzene 2289.98
    dibromomethane 4695.73
    1,1,2,2-tetrachloroethane 5951.52
    2-methyl-cyclohexyl acetate 1792.69
    tetrabutyl urea 795.29
    diisobutyl methanol 1184.73
    2-phenylethanol 727.97
    styrene 964.57
    dioctyl adipate 989.51
    dimethyl sulfate 922.49
    ethyl butyrate 3457.23
    methyl lactate 514.47
    butyl lactate 1257.81
    diethyl carbonate 1587.69
    propanediol butyl ether 643.82
    triethyl orthoformate 2546.14
    p-tert-butyltoluene 850.29
    methyl 4-tert-butylbenzoate 1144.11
    morpholine 4054.59
    tert-butylamine 1448.97
    n-dodecanol 370.76
    dimethoxymethane 2120.15
    ethylene carbonate 1869.66
    cyrene 681.42
    2-ethoxyethyl acetate 2427.8
    2-ethylhexyl acetate 3008.08
    1,2,4-trichlorobenzene 1814.18
    4-methylpyridine 2334.75
    dibutyl ether 2929.09
    2,6-dimethyl-4-heptanol 1184.73
    DEF 3176.94
    dimethyl isosorbide 1507.97
    tetrachloroethylene 4171.87
    eugenol 733.02
    triacetin 1621.71
    span 80 800.32
    1,4-butanediol 192.4
    1,1-dichloroethane 4544.15
    2-methyl-1-pentanol 1170.85
    methyl formate 469.65
    2-methyl-1-butanol 1573.51
    n-decane 402.57
    butyronitrile 1725.52
    3,7-dimethyl-1-octanol 927.81
    1-chlorooctane 1168.16
    1-chlorotetradecane 357.51
    n-nonane 461.04
    undecane 233.72
    tert-butylcyclohexane 647.68
    cyclooctane 1198.89
    cyclopentanol 1669.45
    tetrahydropyran 7224.88
    tert-amyl methyl ether 2634.88
    2,5,8-trioxanonane 1452.74
    1-hexene 1983.23
    2-isopropoxyethanol 1125.99
    2,2,2-trifluoroethanol 300.72
    methyl butyrate 3251.09

    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