Acetamidoethoxybutyl trimonium chloride

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  • Identifiers

    CAS number
    221375-78-6

    Molecular formula
    C11H25ClN2O2

    SMILES
    CC(=O)NCCOCCCC[N+](C)(C)C.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Mint 37.91%
    Cooling 32.91%
    Sweet 28.19%
    Grapefruit 25.26%
    Woody 24.66%
    Fishy 24.38%
    Fresh 23.21%
    Fruity 22.41%
    Oily 22.41%
    Herbal 21.78%

     

    Flavor
    Sulfurous 32.29%
    Green 26.99%
    Sulfury 26.79%
    Mild 25.16%
    Tropical 22.84%
    Acrid 20.94%
    Bland 20.92%
    Roasted 20.84%
    Box tree 20.83%
    Black currant 20.69%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.09 (neutral)

    Molecular weight
    252.78 g/mol

    Flash point

    • 57.51 ˚C est.

  • Synonyms

    • Acetamidoethoxybutyl trimonium chloride
    • UNII-M3360O8HBM
    • M3360O8HBM
    • Acetamidoethoxybutyl trimonium chloride [INCI]
    • 221375-78-6
    • 1-Butanaminium, 4-(2-(acetylamino)ethoxy)-N,N,N-trimethyl-, chloride
    • 1-Butanaminium, 4-(2-(acetylamino)ethoxy)-N,N,N-trimethyl-, chloride (1:)
    • DTXSID20176670
    • RefChem:108864
    • DTXCID9099161
    • Q27283417
    • 4-(2-Acetamidoethoxy)-N,N,N-trimethylbutan-1-aminium chloride
    • 221375-78-6

  • Applications

    Acetamidoethoxybutyl trimonium chloride (CAS 221375-78-6) is considered a cationic surfactant and conditioning agent that may be used in cosmetics and personal care to condition hair, soften skin, and improve feel and manageability. It is also evaluated for use in household cleaners and detergent formulations, where it can act as a surfactant and emulsifier. In the plastics and polymer industries, the compound may be used as an additive or intermediate to improve adhesion and emulsion stability in polymer systems. In coatings and inks, it may serve as a surfactant or stabilizer for emulsions. Actual usage depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1808.2
    methanol 3431.31
    isopropanol 698.56
    water 302.83
    ethyl acetate 265.88
    n-propanol 991.89
    acetone 285.3
    n-butanol 694.66
    acetonitrile 285.09
    DMF 824.86
    toluene 58.59
    isobutanol 493.41
    1,4-dioxane 340.47
    methyl acetate 320.21
    THF 406.6
    2-butanone 242.98
    n-pentanol 288.74
    sec-butanol 502.73
    n-hexane 12.06
    ethylene glycol 826.19
    NMP 671.18
    cyclohexane 28.05
    DMSO 466.36
    n-butyl acetate 130.92
    n-octanol 81.42
    chloroform 945.67
    n-propyl acetate 135.14
    acetic acid 3048.42
    dichloromethane 769.6
    cyclohexanone 385.51
    propylene glycol 853.26
    isopropyl acetate 129.05
    DMAc 828.25
    2-ethoxyethanol 694.51
    isopentanol 308.37
    n-heptane 10.2
    ethyl formate 389.43
    1,2-dichloroethane 306.42
    n-hexanol 220.26
    2-methoxyethanol 1571.49
    isobutyl acetate 94.48
    tetrachloromethane 178.43
    n-pentyl acetate 77.94
    transcutol 866.83
    n-heptanol 96.6
    ethylbenzene 28.28
    MIBK 72.98
    2-propoxyethanol 491.71
    tert-butanol 428.58
    MTBE 155.43
    2-butoxyethanol 278.98
    propionic acid 1000.13
    o-xylene 59.54
    formic acid 2964.35
    diethyl ether 151.29
    m-xylene 51.69
    p-xylene 48.81
    chlorobenzene 104.12
    dimethyl carbonate 88.64
    n-octane 4.11
    formamide 1605.73
    cyclopentanone 332.63
    2-pentanone 139.97
    anisole 78.57
    cyclopentyl methyl ether 195.99
    gamma-butyrolactone 496.21
    1-methoxy-2-propanol 624.02
    pyridine 292.94
    3-pentanone 128.27
    furfural 551.67
    n-dodecane 3.15
    diethylene glycol 537.97
    diisopropyl ether 28.76
    tert-amyl alcohol 370.86
    acetylacetone 145.05
    n-hexadecane 3.41
    acetophenone 101.67
    methyl propionate 232.16
    isopentyl acetate 111.93
    trichloroethylene 717.71
    n-nonanol 72.75
    cyclohexanol 383.99
    benzyl alcohol 158.71
    2-ethylhexanol 88.87
    isooctanol 71.5
    dipropyl ether 66.19
    1,2-dichlorobenzene 102.75
    ethyl lactate 148.29
    propylene carbonate 304.5
    n-methylformamide 910.17
    2-pentanol 223.9
    n-pentane 16.89
    1-propoxy-2-propanol 260.63
    1-methoxy-2-propyl acetate 157.66
    2-(2-methoxypropoxy) propanol 181.85
    mesitylene 30.68
    ε-caprolactone 421.81
    p-cymene 29.61
    epichlorohydrin 481.97
    1,1,1-trichloroethane 294.42
    2-aminoethanol 1428.67
    morpholine-4-carbaldehyde 632.46
    sulfolane 460.1
    2,2,4-trimethylpentane 12.54
    2-methyltetrahydrofuran 314.14
    n-hexyl acetate 113.49
    isooctane 5.51
    2-(2-butoxyethoxy)ethanol 264.48
    sec-butyl acetate 89.64
    tert-butyl acetate 114.32
    decalin 9.71
    glycerin 1074.98
    diglyme 468.31
    acrylic acid 933.12
    isopropyl myristate 31.8
    n-butyric acid 978.26
    acetyl acetate 189.05
    di(2-ethylhexyl) phthalate 62.49
    ethyl propionate 111.33
    nitromethane 1475.55
    1,2-diethoxyethane 123.96
    benzonitrile 127.43
    trioctyl phosphate 39.56
    1-bromopropane 153.86
    gamma-valerolactone 627.68
    n-decanol 46.75
    triethyl phosphate 66.89
    4-methyl-2-pentanol 83.78
    propionitrile 248.61
    vinylene carbonate 313.45
    1,1,2-trichlorotrifluoroethane 1079.69
    DMS 105.77
    cumene 27.14
    2-octanol 46.82
    2-hexanone 97.24
    octyl acetate 50.01
    limonene 45.06
    1,2-dimethoxyethane 450.71
    ethyl orthosilicate 68.22
    tributyl phosphate 53.44
    diacetone alcohol 194.42
    N,N-dimethylaniline 66.05
    acrylonitrile 299.21
    aniline 196.99
    1,3-propanediol 1275.36
    bromobenzene 78.15
    dibromomethane 405.86
    1,1,2,2-tetrachloroethane 598.79
    2-methyl-cyclohexyl acetate 95.86
    tetrabutyl urea 62.34
    diisobutyl methanol 36.03
    2-phenylethanol 124.92
    styrene 34.85
    dioctyl adipate 64.76
    dimethyl sulfate 170.11
    ethyl butyrate 107.41
    methyl lactate 244.07
    butyl lactate 130.02
    diethyl carbonate 78.3
    propanediol butyl ether 270.02
    triethyl orthoformate 91.98
    p-tert-butyltoluene 29.01
    methyl 4-tert-butylbenzoate 113.02
    morpholine 631.71
    tert-butylamine 201.53
    n-dodecanol 31.46
    dimethoxymethane 257.47
    ethylene carbonate 257.0
    cyrene 185.49
    2-ethoxyethyl acetate 127.44
    2-ethylhexyl acetate 88.49
    1,2,4-trichlorobenzene 145.01
    4-methylpyridine 243.23
    dibutyl ether 49.75
    2,6-dimethyl-4-heptanol 36.03
    DEF 316.71
    dimethyl isosorbide 222.0
    tetrachloroethylene 512.6
    eugenol 141.16
    triacetin 166.3
    span 80 175.6
    1,4-butanediol 422.52
    1,1-dichloroethane 336.51
    2-methyl-1-pentanol 176.86
    methyl formate 553.74
    2-methyl-1-butanol 380.69
    n-decane 5.91
    butyronitrile 229.16
    3,7-dimethyl-1-octanol 66.99
    1-chlorooctane 28.91
    1-chlorotetradecane 9.62
    n-nonane 5.76
    undecane 4.02
    tert-butylcyclohexane 9.94
    cyclooctane 8.23
    cyclopentanol 399.01
    tetrahydropyran 294.71
    tert-amyl methyl ether 145.99
    2,5,8-trioxanonane 270.38
    1-hexene 40.94
    2-isopropoxyethanol 298.98
    2,2,2-trifluoroethanol 1101.1
    methyl butyrate 176.47

    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