(Dodecylbenzyl)trimethylammonium chloride

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  • Identifiers

    CAS number
    1330-85-4

    Molecular formula
    C22H40ClN

    SMILES
    CCCCCCCCCCCCC1=CC(=CC=C1)C[N+](C)(C)C.[Cl-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 63.18%
    Fatty 42.64%
    Oily 36.69%
    Green 28.74%
    Woody 25.65%
    Floral 25.44%
    Balsamic 23.18%
    Animal 22.75%
    Sweet 21.46%
    Fresh 21.22%

     

    Flavor
    Mild 28.17%
    Waxy 23.82%
    Bland 22.84%
    Delicate 21.81%
    Diterpene 20.57%
    Slightly waxy 20.26%
    Low 19.86%
    Thymol 19.33%
    Creosote 19.2%
    Oriental 19.18%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    8.23 (weak base)

    Molecular weight
    354.0 g/mol

    Flash point

    • 70.39 ˚C est.

  • Synonyms

    • (Dodecylbenzyl)trimethylammonium chloride
    • RefChem:406211
    • DTXSID1034559
    • 215-551-4
    • 1330-85-4
    • NWUZFHOECSNOOL-UHFFFAOYSA-M
    • dodecylbenzyltrimethylammonium chloride
    • 1330-85-4

  • Applications

    The compound (Dodecylbenzyl)trimethylammonium chloride (CAS 1330-85-4) is a cationic surfactant used as a surface-active agent and emulsifier in cleaning and personal-care formulations, as a fabric-conditioning agent in textiles, as a processing additive and dispersant in plastics and polymers, and as a surface-active/compatibilizing additive in coatings, inks, and adhesives; it may also serve as an intermediate or specialty additive in polymer synthesis and formulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1861.29
    methanol 871.79
    isopropanol 1661.69
    water 0.12
    ethyl acetate 3562.12
    n-propanol 2076.78
    acetone 3335.84
    n-butanol 2603.64
    acetonitrile 778.84
    DMF 1605.3
    toluene 1750.2
    isobutanol 1893.08
    1,4-dioxane 4172.4
    methyl acetate 2038.46
    THF 5640.88
    2-butanone 2715.37
    n-pentanol 1635.07
    sec-butanol 1780.88
    n-hexane 1195.14
    ethylene glycol 76.47
    NMP 1686.01
    cyclohexane 3180.42
    DMSO 1631.09
    n-butyl acetate 3751.38
    n-octanol 822.06
    chloroform 6124.65
    n-propyl acetate 2793.14
    acetic acid 981.58
    dichloromethane 5628.86
    cyclohexanone 5257.47
    propylene glycol 230.41
    isopropyl acetate 2754.31
    DMAc 1781.07
    2-ethoxyethanol 1775.09
    isopentanol 2506.35
    n-heptane 1628.49
    ethyl formate 1523.2
    1,2-dichloroethane 4279.9
    n-hexanol 2141.08
    2-methoxyethanol 1975.11
    isobutyl acetate 2160.66
    tetrachloromethane 1695.58
    n-pentyl acetate 2328.82
    transcutol 4743.41
    n-heptanol 1107.45
    ethylbenzene 852.78
    MIBK 2193.3
    2-propoxyethanol 2312.33
    tert-butanol 2232.74
    MTBE 4070.15
    2-butoxyethanol 1751.15
    propionic acid 1022.64
    o-xylene 1049.7
    formic acid 113.48
    diethyl ether 5004.65
    m-xylene 1121.56
    p-xylene 1120.49
    chlorobenzene 1714.06
    dimethyl carbonate 627.05
    n-octane 413.31
    formamide 177.58
    cyclopentanone 3531.97
    2-pentanone 3451.28
    anisole 1121.33
    cyclopentyl methyl ether 4359.24
    gamma-butyrolactone 2808.13
    1-methoxy-2-propanol 1745.56
    pyridine 2374.78
    3-pentanone 2591.53
    furfural 1635.02
    n-dodecane 136.64
    diethylene glycol 712.27
    diisopropyl ether 1936.86
    tert-amyl alcohol 1977.97
    acetylacetone 2450.05
    n-hexadecane 163.32
    acetophenone 1082.05
    methyl propionate 2122.09
    isopentyl acetate 3261.46
    trichloroethylene 5348.13
    n-nonanol 772.07
    cyclohexanol 2803.76
    benzyl alcohol 774.93
    2-ethylhexanol 2006.88
    isooctanol 1055.02
    dipropyl ether 4765.23
    1,2-dichlorobenzene 1383.21
    ethyl lactate 738.85
    propylene carbonate 1840.8
    n-methylformamide 652.92
    2-pentanol 1960.88
    n-pentane 1140.31
    1-propoxy-2-propanol 2482.16
    1-methoxy-2-propyl acetate 2307.91
    2-(2-methoxypropoxy) propanol 833.89
    mesitylene 839.34
    ε-caprolactone 3696.06
    p-cymene 832.26
    epichlorohydrin 3694.37
    1,1,1-trichloroethane 4359.6
    2-aminoethanol 309.83
    morpholine-4-carbaldehyde 2154.64
    sulfolane 2680.83
    2,2,4-trimethylpentane 555.04
    2-methyltetrahydrofuran 4812.01
    n-hexyl acetate 2157.47
    isooctane 384.69
    2-(2-butoxyethoxy)ethanol 1514.15
    sec-butyl acetate 2139.93
    tert-butyl acetate 3019.86
    decalin 717.16
    glycerin 256.75
    diglyme 3601.59
    acrylic acid 550.78
    isopropyl myristate 800.33
    n-butyric acid 2751.06
    acetyl acetate 1730.45
    di(2-ethylhexyl) phthalate 453.77
    ethyl propionate 2175.46
    nitromethane 1469.12
    1,2-diethoxyethane 3437.5
    benzonitrile 986.77
    trioctyl phosphate 420.69
    1-bromopropane 3738.69
    gamma-valerolactone 3915.39
    n-decanol 513.28
    triethyl phosphate 872.66
    4-methyl-2-pentanol 1190.44
    propionitrile 1095.93
    vinylene carbonate 1362.45
    1,1,2-trichlorotrifluoroethane 2305.38
    DMS 959.53
    cumene 634.56
    2-octanol 748.33
    2-hexanone 2319.49
    octyl acetate 905.08
    limonene 1780.58
    1,2-dimethoxyethane 3881.15
    ethyl orthosilicate 1127.3
    tributyl phosphate 531.56
    diacetone alcohol 1927.67
    N,N-dimethylaniline 818.93
    acrylonitrile 742.94
    aniline 1292.77
    1,3-propanediol 818.52
    bromobenzene 1985.2
    dibromomethane 4171.87
    1,1,2,2-tetrachloroethane 5197.04
    2-methyl-cyclohexyl acetate 1645.69
    tetrabutyl urea 712.08
    diisobutyl methanol 1170.63
    2-phenylethanol 872.33
    styrene 957.08
    dioctyl adipate 911.58
    dimethyl sulfate 804.98
    ethyl butyrate 2960.23
    methyl lactate 588.23
    butyl lactate 1157.45
    diethyl carbonate 1367.04
    propanediol butyl ether 799.71
    triethyl orthoformate 2279.14
    p-tert-butyltoluene 795.32
    methyl 4-tert-butylbenzoate 1021.76
    morpholine 4746.36
    tert-butylamine 1887.1
    n-dodecanol 382.39
    dimethoxymethane 2416.46
    ethylene carbonate 1670.21
    cyrene 725.73
    2-ethoxyethyl acetate 2245.86
    2-ethylhexyl acetate 2808.2
    1,2,4-trichlorobenzene 1575.01
    4-methylpyridine 2404.45
    dibutyl ether 2589.0
    2,6-dimethyl-4-heptanol 1170.63
    DEF 2993.95
    dimethyl isosorbide 1446.79
    tetrachloroethylene 3736.25
    eugenol 725.56
    triacetin 1435.63
    span 80 854.22
    1,4-butanediol 348.13
    1,1-dichloroethane 3953.63
    2-methyl-1-pentanol 1630.46
    methyl formate 584.57
    2-methyl-1-butanol 2161.57
    n-decane 355.58
    butyronitrile 2012.91
    3,7-dimethyl-1-octanol 950.71
    1-chlorooctane 1081.0
    1-chlorotetradecane 313.12
    n-nonane 414.09
    undecane 203.04
    tert-butylcyclohexane 599.64
    cyclooctane 979.48
    cyclopentanol 1815.68
    tetrahydropyran 7303.9
    tert-amyl methyl ether 2746.23
    2,5,8-trioxanonane 1565.65
    1-hexene 2314.96
    2-isopropoxyethanol 1505.68
    2,2,2-trifluoroethanol 337.84
    methyl butyrate 2938.21

    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