Lauryl isoquinolinium saccharinate

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  • Identifiers

    CAS number
    7444-81-7

    Molecular formula
    C28H36N2O3S

    SMILES
    CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]

    Safety labels

  • Odor profile

    Fragrance
    Waxy 61.49%
    Fatty 47.09%
    Oily 38.25%
    Burnt 28.01%
    Sweet 26.83%
    Animal 24.96%
    Balsamic 24.51%
    Earthy 24.47%
    Spicy 24.4%
    Meaty 23.17%

     

    Flavor
    Waxy 28.31%
    Mild 23.1%
    Delicate 20.26%
    Slightly waxy 20.25%
    Diterpene 20.22%
    Low 19.84%
    Incense 19.3%
    Creosote 19.06%
    Terpentine 19.06%
    Beer 18.95%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    8.95 (weak base)

    Molecular weight
    480.7 g/mol

    Flash point

    • 193.35 ˚C est.

  • Synonyms

    • LAURYL ISOQUINOLINIUM SACCHARINATE
    • Laurylisoquinolinium benzosulfimide
    • UNII-S5LL54G1G9
    • HQ-4300
    • HQ-4330
    • S5LL54G1G9
    • 7444-81-7
    • Isoquinolinium, 2-dodecyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)
    • Isoquinolinium, 2-dodecyl-, salt with 1,2-benzisothiazolin-3-one 1,1-dioxide (1:1)
    • SCHEMBL29399608
    • DTXSID40274586
    • LAURYLISOQUINOLINIUM SACCHARINATE
    • Q27288682
    • 2-Dodecylisoquinolin-2-ium 1,1,3-trioxo-1,3-dihydro-1lambda~6~,2-benzothiazol-2-ide
    • 7444-81-7

  • Applications

    Lauryl isoquinolinium saccharinate (CAS 7444-81-7) is a quaternary ammonium salt with a lauryl group and a saccharinate counterion, primarily used as a cationic surfactant. In cosmetics and personal care, it can act as a surfactant and conditioning agent for hair and skin formulations. In household cleaning products, it is evaluated as a detergent/surfactant additive and can contribute to fabric conditioning in some formulations. In industrial manufacturing, it serves as a surface-active additive to improve wetting, dispersion, and emulsion stability in coatings, inks, and adhesives. In polymers and plastics, it can act as a dispersant or processing aid to enhance compatibility and stabilization. It may also be explored for antimicrobial and antistatic properties in appropriate formulations, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 781.98
    methanol 435.29
    isopropanol 579.3
    water 0.2
    ethyl acetate 2276.02
    n-propanol 931.27
    acetone 3036.07
    n-butanol 912.42
    acetonitrile 957.34
    DMF 1854.57
    toluene 1341.38
    isobutanol 732.31
    1,4-dioxane 3265.19
    methyl acetate 1662.96
    THF 4872.73
    2-butanone 2219.71
    n-pentanol 559.68
    sec-butanol 614.93
    n-hexane 400.17
    ethylene glycol 26.76
    NMP 1552.62
    cyclohexane 1217.83
    DMSO 1858.51
    n-butyl acetate 2508.7
    n-octanol 190.7
    chloroform 4879.31
    n-propyl acetate 1822.53
    acetic acid 584.64
    dichloromethane 7850.3
    cyclohexanone 3905.3
    propylene glycol 41.4
    isopropyl acetate 1423.94
    DMAc 1651.49
    2-ethoxyethanol 752.85
    isopentanol 814.59
    n-heptane 390.18
    ethyl formate 1004.92
    1,2-dichloroethane 6687.07
    n-hexanol 644.97
    2-methoxyethanol 981.94
    isobutyl acetate 1229.37
    tetrachloromethane 1302.18
    n-pentyl acetate 1215.76
    transcutol 2663.61
    n-heptanol 279.99
    ethylbenzene 505.13
    MIBK 1149.4
    2-propoxyethanol 973.49
    tert-butanol 672.03
    MTBE 1708.54
    2-butoxyethanol 586.21
    propionic acid 563.63
    o-xylene 682.61
    formic acid 74.54
    diethyl ether 3288.11
    m-xylene 672.42
    p-xylene 739.46
    chlorobenzene 1503.55
    dimethyl carbonate 481.9
    n-octane 120.7
    formamide 216.2
    cyclopentanone 3393.78
    2-pentanone 2176.33
    anisole 808.53
    cyclopentyl methyl ether 2608.21
    gamma-butyrolactone 3156.07
    1-methoxy-2-propanol 652.45
    pyridine 2786.36
    3-pentanone 1855.64
    furfural 1605.2
    n-dodecane 46.1
    diethylene glycol 275.04
    diisopropyl ether 713.4
    tert-amyl alcohol 579.45
    acetylacetone 1839.46
    n-hexadecane 56.18
    acetophenone 754.82
    methyl propionate 1459.16
    isopentyl acetate 1971.65
    trichloroethylene 6506.02
    n-nonanol 212.27
    cyclohexanol 1068.65
    benzyl alcohol 438.64
    2-ethylhexanol 615.74
    isooctanol 273.38
    dipropyl ether 2286.47
    1,2-dichlorobenzene 1268.69
    ethyl lactate 296.81
    propylene carbonate 1435.32
    n-methylformamide 677.05
    2-pentanol 573.39
    n-pentane 347.99
    1-propoxy-2-propanol 901.33
    1-methoxy-2-propyl acetate 1386.99
    2-(2-methoxypropoxy) propanol 346.95
    mesitylene 432.95
    ε-caprolactone 2589.51
    p-cymene 388.87
    epichlorohydrin 4831.09
    1,1,1-trichloroethane 3960.61
    2-aminoethanol 112.86
    morpholine-4-carbaldehyde 1597.44
    sulfolane 2495.5
    2,2,4-trimethylpentane 130.76
    2-methyltetrahydrofuran 3646.26
    n-hexyl acetate 901.3
    isooctane 79.19
    2-(2-butoxyethoxy)ethanol 583.76
    sec-butyl acetate 1120.95
    tert-butyl acetate 1388.43
    decalin 244.44
    glycerin 62.0
    diglyme 1957.74
    acrylic acid 335.64
    isopropyl myristate 336.88
    n-butyric acid 1320.71
    acetyl acetate 1053.02
    di(2-ethylhexyl) phthalate 198.92
    ethyl propionate 1391.6
    nitromethane 1464.96
    1,2-diethoxyethane 2864.86
    benzonitrile 711.71
    trioctyl phosphate 159.69
    1-bromopropane 3600.1
    gamma-valerolactone 3644.85
    n-decanol 156.45
    triethyl phosphate 500.5
    4-methyl-2-pentanol 326.55
    propionitrile 956.07
    vinylene carbonate 1109.82
    1,1,2-trichlorotrifluoroethane 1292.85
    DMS 694.79
    cumene 337.7
    2-octanol 191.14
    2-hexanone 1481.38
    octyl acetate 399.79
    limonene 753.37
    1,2-dimethoxyethane 2661.68
    ethyl orthosilicate 562.6
    tributyl phosphate 258.8
    diacetone alcohol 808.8
    N,N-dimethylaniline 493.89
    acrylonitrile 849.73
    aniline 1000.26
    1,3-propanediol 335.36
    bromobenzene 1717.72
    dibromomethane 4667.9
    1,1,2,2-tetrachloroethane 5113.26
    2-methyl-cyclohexyl acetate 902.1
    tetrabutyl urea 351.84
    diisobutyl methanol 357.45
    2-phenylethanol 460.08
    styrene 655.58
    dioctyl adipate 438.54
    dimethyl sulfate 663.8
    ethyl butyrate 1848.44
    methyl lactate 228.27
    butyl lactate 459.71
    diethyl carbonate 884.82
    propanediol butyl ether 211.8
    triethyl orthoformate 1102.89
    p-tert-butyltoluene 349.85
    methyl 4-tert-butylbenzoate 524.81
    morpholine 3539.08
    tert-butylamine 545.85
    n-dodecanol 123.36
    dimethoxymethane 1849.58
    ethylene carbonate 1234.56
    cyrene 358.67
    2-ethoxyethyl acetate 1420.03
    2-ethylhexyl acetate 1657.64
    1,2,4-trichlorobenzene 1426.03
    4-methylpyridine 2316.71
    dibutyl ether 1166.63
    2,6-dimethyl-4-heptanol 357.45
    DEF 2261.82
    dimethyl isosorbide 942.78
    tetrachloroethylene 3763.57
    eugenol 379.51
    triacetin 648.92
    span 80 308.45
    1,4-butanediol 110.18
    1,1-dichloroethane 3963.56
    2-methyl-1-pentanol 573.54
    methyl formate 553.49
    2-methyl-1-butanol 804.11
    n-decane 102.93
    butyronitrile 1246.27
    3,7-dimethyl-1-octanol 279.97
    1-chlorooctane 405.22
    1-chlorotetradecane 136.8
    n-nonane 108.98
    undecane 64.34
    tert-butylcyclohexane 178.53
    cyclooctane 261.0
    cyclopentanol 863.73
    tetrahydropyran 5116.87
    tert-amyl methyl ether 1085.79
    2,5,8-trioxanonane 788.74
    1-hexene 1074.68
    2-isopropoxyethanol 613.05
    2,2,2-trifluoroethanol 217.91
    methyl butyrate 1954.73

    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