Benzyldimethyloctylammonium chloride

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  • Identifiers

    CAS number
    959-55-7

    Molecular formula
    C17H30ClN

    SMILES
    CCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Waxy 47.61%
    Floral 42.16%
    Green 40.78%
    Fatty 33.92%
    Oily 33.23%
    Fresh 29.69%
    Herbal 28.22%
    Woody 27.23%
    Citrus 26.36%
    Sweet 24.59%

     

    Flavor
    Mild 24.17%
    Delicate 20.71%
    Diterpene 19.51%
    Slightly waxy 19.1%
    Waxy 19.05%
    Skunky 18.88%
    Bland 18.88%
    Green pepper 18.86%
    Low 18.85%
    Creosote 18.66%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    7.99 (neutral)

    Molecular weight
    283.9 g/mol

    Flash point

    • 69.68 ˚C est.

  • Synonyms

    • Benzyldimethyloctylammonium chloride
    • 959-55-7
    • Benzenemethanaminium, N,N-dimethyl-N-octyl-, chloride
    • Octyl-dimethyl-benzylammonium chloride
    • UNII-OC19CZY82T
    • benzyl-dimethyl-octylazanium;chloride
    • EINECS 213-502-1
    • OC19CZY82T
    • N,N-Dimethyl-N-octylbenzenemethanaminium chloride
    • CAPRYLYLALKONIUM CHLORIDE
    • N-Caprylyl-N,N-dimethylbenzylammonium chloride
    • N-Benzyl-N,N-dimethyloctan-1-aminium chloride
    • AMMONIUM, BENZYLDIMETHYLOCTYL-, CHLORIDE
    • Benzenemethanaminium, N,N-dimethyl-N-octyl-, chloride (1:1)
    • DTXSID6041634
    • octylbenzyldimethylammonium chloride
    • octyldimethylbenzylammonium chloride
    • Benzalkonium chloride (50% in Water)
    • DIMETHYLBENZYL-N-OCTYLAMMONIUM CHLORIDE
    • N-OCTYL DIMETHYL BENZYL AMMONIUM CHLORIDE
    • MFCD00145757
    • starbld0018996
    • SCHEMBL28965
    • CHEMBL3277499
    • DTXCID4021634
    • dimethyloctylbenzylammonium chloride
    • Benzalkonium chloride C8 (BAC C8)
    • benzyl-dimethyl-octyl-ammonium chloride
    • HY-126398A
    • CAPRYLYLALKONIUM CHLORIDE [INCI]
    • AS-83678
    • DB-318734
    • HY-126398
    • CS-0103352
    • CS-0182092
    • NS00042051
    • Benzalkonium chloride (80% ethanol solution)
    • G77650
    • Benzyldimethyloctylammonium chloride, >=96.0% (AT)
    • Q27285562
    • Benzyldimethyloctylammonium chloride 100 microg/mL in Acetonitrile
    • 213-502-1

  • Applications

    Benzyldimethyloctylammonium chloride (CAS 959-55-7) is a cationic quaternary ammonium surfactant commonly used as a conditioning/softening agent and emulsifier in personal care and textile applications. It also serves as a surfactant and wetting agent in household cleaners, dishwashing formulations, coatings, inks and adhesives. In industrial manufacturing it can function as a dispersion/stabilizer additive or a phase-transfer catalyst in polymer and plastics processing. Additionally, it may be applied as an antimicrobial additive in cleaning/disinfection formulations, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3516.41
    methanol 1647.55
    isopropanol 3127.12
    water 0.11
    ethyl acetate 5090.49
    n-propanol 3755.63
    acetone 4879.49
    n-butanol 4348.12
    acetonitrile 1821.82
    DMF 2003.65
    toluene 2459.49
    isobutanol 3198.42
    1,4-dioxane 6223.97
    methyl acetate 3194.89
    THF 6861.88
    2-butanone 3849.55
    n-pentanol 2654.87
    sec-butanol 2940.17
    n-hexane 1993.32
    ethylene glycol 192.71
    NMP 1400.35
    cyclohexane 4117.55
    DMSO 2274.05
    n-butyl acetate 6048.3
    n-octanol 1109.78
    chloroform 8128.13
    n-propyl acetate 3362.29
    acetic acid 1549.42
    dichloromethane 7245.86
    cyclohexanone 5713.66
    propylene glycol 453.11
    isopropyl acetate 3350.17
    DMAc 1679.63
    2-ethoxyethanol 2442.76
    isopentanol 3821.56
    n-heptane 2203.95
    ethyl formate 2249.86
    1,2-dichloroethane 5781.36
    n-hexanol 4451.27
    2-methoxyethanol 3120.1
    isobutyl acetate 2344.44
    tetrachloromethane 1926.64
    n-pentyl acetate 2194.81
    transcutol 6470.01
    n-heptanol 1399.1
    ethylbenzene 1068.68
    MIBK 2593.62
    2-propoxyethanol 4045.42
    tert-butanol 3822.58
    MTBE 6215.92
    2-butoxyethanol 2022.75
    propionic acid 1574.32
    o-xylene 1318.47
    formic acid 180.78
    diethyl ether 7664.05
    m-xylene 1438.1
    p-xylene 1369.17
    chlorobenzene 2351.45
    dimethyl carbonate 745.53
    n-octane 504.98
    formamide 264.04
    cyclopentanone 3864.88
    2-pentanone 4398.77
    anisole 1412.38
    cyclopentyl methyl ether 4710.05
    gamma-butyrolactone 3095.14
    1-methoxy-2-propanol 2427.05
    pyridine 3431.98
    3-pentanone 3077.75
    furfural 2162.22
    n-dodecane 202.42
    diethylene glycol 1389.12
    diisopropyl ether 2415.62
    tert-amyl alcohol 2963.87
    acetylacetone 2847.43
    n-hexadecane 238.8
    acetophenone 1135.93
    methyl propionate 2635.25
    isopentyl acetate 4710.76
    trichloroethylene 7098.16
    n-nonanol 977.76
    cyclohexanol 3709.03
    benzyl alcohol 987.17
    2-ethylhexanol 3229.78
    isooctanol 1227.08
    dipropyl ether 6575.66
    1,2-dichlorobenzene 1759.56
    ethyl lactate 804.93
    propylene carbonate 2192.17
    n-methylformamide 885.76
    2-pentanol 3023.09
    n-pentane 1770.82
    1-propoxy-2-propanol 3765.57
    1-methoxy-2-propyl acetate 2915.69
    2-(2-methoxypropoxy) propanol 970.39
    mesitylene 986.55
    ε-caprolactone 4067.52
    p-cymene 1019.66
    epichlorohydrin 4811.44
    1,1,1-trichloroethane 5447.36
    2-aminoethanol 643.21
    morpholine-4-carbaldehyde 2353.63
    sulfolane 2674.61
    2,2,4-trimethylpentane 671.32
    2-methyltetrahydrofuran 6005.64
    n-hexyl acetate 2365.74
    isooctane 534.57
    2-(2-butoxyethoxy)ethanol 1820.57
    sec-butyl acetate 2259.93
    tert-butyl acetate 3375.58
    decalin 855.42
    glycerin 445.82
    diglyme 3926.91
    acrylic acid 826.51
    isopropyl myristate 829.33
    n-butyric acid 3796.41
    acetyl acetate 2185.5
    di(2-ethylhexyl) phthalate 491.37
    ethyl propionate 2415.87
    nitromethane 2132.61
    1,2-diethoxyethane 4710.48
    benzonitrile 1417.71
    trioctyl phosphate 462.5
    1-bromopropane 5407.09
    gamma-valerolactone 4293.37
    n-decanol 687.87
    triethyl phosphate 876.6
    4-methyl-2-pentanol 1602.18
    propionitrile 2232.05
    vinylene carbonate 1668.4
    1,1,2-trichlorotrifluoroethane 2522.45
    DMS 1069.58
    cumene 715.2
    2-octanol 891.59
    2-hexanone 2885.58
    octyl acetate 978.69
    limonene 2169.75
    1,2-dimethoxyethane 4925.31
    ethyl orthosilicate 1105.34
    tributyl phosphate 623.61
    diacetone alcohol 2125.67
    N,N-dimethylaniline 882.76
    acrylonitrile 1381.35
    aniline 1817.93
    1,3-propanediol 1421.18
    bromobenzene 2672.26
    dibromomethane 5755.02
    1,1,2,2-tetrachloroethane 6482.6
    2-methyl-cyclohexyl acetate 1689.5
    tetrabutyl urea 752.62
    diisobutyl methanol 1604.76
    2-phenylethanol 1299.23
    styrene 1257.2
    dioctyl adipate 918.65
    dimethyl sulfate 795.69
    ethyl butyrate 3644.78
    methyl lactate 687.34
    butyl lactate 1166.69
    diethyl carbonate 1714.5
    propanediol butyl ether 1038.59
    triethyl orthoformate 2383.41
    p-tert-butyltoluene 980.73
    methyl 4-tert-butylbenzoate 966.28
    morpholine 6608.94
    tert-butylamine 3204.09
    n-dodecanol 519.94
    dimethoxymethane 2747.65
    ethylene carbonate 2040.1
    cyrene 720.89
    2-ethoxyethyl acetate 2338.42
    2-ethylhexyl acetate 3847.25
    1,2,4-trichlorobenzene 1869.38
    4-methylpyridine 3302.68
    dibutyl ether 3371.82
    2,6-dimethyl-4-heptanol 1604.76
    DEF 3425.52
    dimethyl isosorbide 1566.23
    tetrachloroethylene 4321.61
    eugenol 765.54
    triacetin 1384.79
    span 80 1035.36
    1,4-butanediol 585.36
    1,1-dichloroethane 5786.86
    2-methyl-1-pentanol 2329.79
    methyl formate 799.72
    2-methyl-1-butanol 3261.95
    n-decane 454.12
    butyronitrile 3638.79
    3,7-dimethyl-1-octanol 1260.43
    1-chlorooctane 1281.89
    1-chlorotetradecane 410.73
    n-nonane 551.48
    undecane 286.97
    tert-butylcyclohexane 743.5
    cyclooctane 1273.86
    cyclopentanol 2375.93
    tetrahydropyran 9948.52
    tert-amyl methyl ether 3537.29
    2,5,8-trioxanonane 1808.05
    1-hexene 4015.5
    2-isopropoxyethanol 2002.82
    2,2,2-trifluoroethanol 399.43
    methyl butyrate 3377.41

    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