Benzenemethanaminium, N,N-dimethyl-N-[3-[(1-oxoisooctadecyl)amino]propyl]-, chloride

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  • Identifiers

    CAS number
    67633-59-4

    Molecular formula
    C30H55ClN2O

    SMILES
    CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Waxy 48.53%
    Woody 33.59%
    Fatty 32.92%
    Animal 32.56%
    Meaty 30.26%
    Savory 29.73%
    Fishy 29.57%
    Oily 27.25%
    Cooling 23.93%
    Fresh 23.66%

     

    Flavor
    Bland 32.23%
    Mild 28.63%
    Delicate 20.86%
    Herbal 20.82%
    Faint 20.74%
    Odorless 20.71%
    Slightly waxy 20.4%
    Diterpene 19.28%
    Bay oil 18.97%
    Cedarleaf 18.77%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.0 (weak base)

    Molecular weight
    495.2 g/mol

    Flash point

    • 137.83 ˚C est.

  • Synonyms

    • Isostearaminopropalkonium chloride
    • 67633-59-4
    • EINECS 266-777-5
    • 08592GAU19
    • Benzyldimethyl(3-((1-oxoisooctadecyl)amino)propyl)ammonium chloride
    • N-(3-Isostearylamido)propyl-N,N-dimethyl-N-benzylammonium chloride
    • Benzenemethanaminium, N,N-dimethyl-N-(3-((1-oxoisooctadecyl)amino)propyl)-, chloride
    • Benzenemethanaminium, N,N-dimethyl-N-(3-((1-oxoisooctadecyl)amino)propyl)-, chloride (1:1)
    • Benzenemethanaminium, N,N-dimethyl-N-[3-[(1-oxoisooctadecyl)amino]propyl]-, chloride
    • Benzyldimethyl[3-[(1-oxoisooctadecyl)amino]propyl]ammonium chloride
    • Benzenemethanaminium, N,N-dimethyl-N-[3-[(1-oxoisooctadecyl)amino]propyl]-, chloride (1:1)
    • RefChem:563402
    • ISOSTEARAMINOPROPALKONIUM CHLORIDE [INCI]
    • N,N-Dimethyl-N-(3-((1-oxoisooctadecyl)amino)propyl)benzenemethana-minium chloride
    • 266-777-5
    • benzyl-dimethyl-[3-(16-methylheptadecanoylamino)propyl]azanium;chloride
    • UNII-08592GAU19
    • SCHEMBL10947021
    • NS00013797
    • Q27236366
    • N,N-Dimethyl-N-(3-((1-oxoisooctadecyl)amino)propyl)benzenemethana- minium chloride
    • 67633-59-4

  • Applications

    Benzenemethanaminium, N,N-dimethyl-N-[3-[(1-oxoisooctadecyl)amino]propyl]-, chloride (CAS 67633-59-4) is typically used as a cationic surfactant and conditioning agent; in cosmetics/personal care it serves as a hair and skin conditioning additive, in household cleaners and laundry products as a surface-active agent and fabric care adjunct, in coatings, inks, and polymer formulations as a wetting, dispersing, and surface-modifying agent, in textile finishing as a softening and antistatic treatment, and in industrial manufacturing as a processing aid and emulsifier to improve dispersion and formulation compatibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 106.61
    methanol 133.59
    isopropanol 81.81
    water 1.17
    ethyl acetate 345.75
    n-propanol 135.49
    acetone 289.05
    n-butanol 152.99
    acetonitrile 68.7
    DMF 315.77
    toluene 161.54
    isobutanol 137.54
    1,4-dioxane 311.78
    methyl acetate 231.15
    THF 629.97
    2-butanone 353.43
    n-pentanol 119.4
    sec-butanol 130.37
    n-hexane 24.59
    ethylene glycol 11.1
    NMP 673.77
    cyclohexane 79.52
    DMSO 295.23
    n-butyl acetate 257.68
    n-octanol 88.04
    chloroform 1174.78
    n-propyl acetate 315.35
    acetic acid 254.51
    dichloromethane 1011.97
    cyclohexanone 835.82
    propylene glycol 29.76
    isopropyl acetate 303.13
    DMAc 699.37
    2-ethoxyethanol 228.16
    isopentanol 158.86
    n-heptane 20.98
    ethyl formate 196.35
    1,2-dichloroethane 614.31
    n-hexanol 93.45
    2-methoxyethanol 221.83
    isobutyl acetate 244.13
    tetrachloromethane 276.93
    n-pentyl acetate 374.79
    transcutol 688.2
    n-heptanol 111.28
    ethylbenzene 82.72
    MIBK 292.26
    2-propoxyethanol 202.32
    tert-butanol 119.99
    MTBE 220.65
    2-butoxyethanol 283.97
    propionic acid 190.84
    o-xylene 119.9
    formic acid 87.81
    diethyl ether 190.76
    m-xylene 108.94
    p-xylene 118.23
    chlorobenzene 252.73
    dimethyl carbonate 126.94
    n-octane 10.61
    formamide 113.48
    cyclopentanone 720.88
    2-pentanone 364.61
    anisole 153.32
    cyclopentyl methyl ether 418.32
    gamma-butyrolactone 666.07
    1-methoxy-2-propanol 210.12
    pyridine 335.17
    3-pentanone 324.06
    furfural 462.15
    n-dodecane 4.78
    diethylene glycol 86.71
    diisopropyl ether 82.71
    tert-amyl alcohol 172.19
    acetylacetone 411.99
    n-hexadecane 5.84
    acetophenone 234.62
    methyl propionate 289.3
    isopentyl acetate 272.85
    trichloroethylene 1116.47
    n-nonanol 87.97
    cyclohexanol 268.75
    benzyl alcohol 133.02
    2-ethylhexanol 93.16
    isooctanol 113.34
    dipropyl ether 150.26
    1,2-dichlorobenzene 260.83
    ethyl lactate 136.57
    propylene carbonate 426.56
    n-methylformamide 165.83
    2-pentanol 112.84
    n-pentane 21.81
    1-propoxy-2-propanol 196.16
    1-methoxy-2-propyl acetate 293.38
    2-(2-methoxypropoxy) propanol 172.05
    mesitylene 72.8
    ε-caprolactone 728.79
    p-cymene 63.41
    epichlorohydrin 715.05
    1,1,1-trichloroethane 649.12
    2-aminoethanol 45.7
    morpholine-4-carbaldehyde 454.85
    sulfolane 822.35
    2,2,4-trimethylpentane 26.05
    2-methyltetrahydrofuran 496.11
    n-hexyl acetate 307.07
    isooctane 11.21
    2-(2-butoxyethoxy)ethanol 253.04
    sec-butyl acetate 251.54
    tert-butyl acetate 363.0
    decalin 27.13
    glycerin 51.98
    diglyme 660.7
    acrylic acid 146.35
    isopropyl myristate 82.18
    n-butyric acid 407.55
    acetyl acetate 231.19
    di(2-ethylhexyl) phthalate 92.14
    ethyl propionate 256.65
    nitromethane 372.43
    1,2-diethoxyethane 262.73
    benzonitrile 138.63
    trioctyl phosphate 67.57
    1-bromopropane 338.19
    gamma-valerolactone 916.77
    n-decanol 51.43
    triethyl phosphate 138.09
    4-methyl-2-pentanol 87.41
    propionitrile 96.0
    vinylene carbonate 345.96
    1,1,2-trichlorotrifluoroethane 655.69
    DMS 177.75
    cumene 62.25
    2-octanol 82.81
    2-hexanone 291.86
    octyl acetate 112.32
    limonene 112.03
    1,2-dimethoxyethane 397.97
    ethyl orthosilicate 152.29
    tributyl phosphate 87.07
    diacetone alcohol 313.29
    N,N-dimethylaniline 115.17
    acrylonitrile 94.84
    aniline 166.43
    1,3-propanediol 91.55
    bromobenzene 268.23
    dibromomethane 660.04
    1,1,2,2-tetrachloroethane 1077.41
    2-methyl-cyclohexyl acetate 223.15
    tetrabutyl urea 116.76
    diisobutyl methanol 60.76
    2-phenylethanol 110.94
    styrene 90.52
    dioctyl adipate 139.05
    dimethyl sulfate 282.97
    ethyl butyrate 258.11
    methyl lactate 132.79
    butyl lactate 247.68
    diethyl carbonate 143.8
    propanediol butyl ether 190.45
    triethyl orthoformate 224.86
    p-tert-butyltoluene 59.1
    methyl 4-tert-butylbenzoate 251.37
    morpholine 434.76
    tert-butylamine 77.58
    n-dodecanol 32.4
    dimethoxymethane 261.06
    ethylene carbonate 332.06
    cyrene 215.92
    2-ethoxyethyl acetate 435.52
    2-ethylhexyl acetate 248.77
    1,2,4-trichlorobenzene 338.66
    4-methylpyridine 324.2
    dibutyl ether 137.52
    2,6-dimethyl-4-heptanol 60.76
    DEF 433.63
    dimethyl isosorbide 340.4
    tetrachloroethylene 730.33
    eugenol 192.49
    triacetin 342.2
    span 80 164.72
    1,4-butanediol 45.11
    1,1-dichloroethane 507.4
    2-methyl-1-pentanol 144.64
    methyl formate 139.73
    2-methyl-1-butanol 179.95
    n-decane 12.96
    butyronitrile 133.35
    3,7-dimethyl-1-octanol 86.71
    1-chlorooctane 76.49
    1-chlorotetradecane 18.17
    n-nonane 12.87
    undecane 7.22
    tert-butylcyclohexane 22.65
    cyclooctane 23.04
    cyclopentanol 213.64
    tetrahydropyran 490.08
    tert-amyl methyl ether 236.65
    2,5,8-trioxanonane 290.32
    1-hexene 77.07
    2-isopropoxyethanol 192.64
    2,2,2-trifluoroethanol 162.82
    methyl butyrate 369.06

    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