Benzyltrimethylammonium chloride

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  • Identifiers

    CAS number
    56-93-9

    Molecular formula
    C10H16ClN

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Floral 50.66%
    Woody 48.5%
    Green 46.62%
    Earthy 31.97%
    Herbal 31.72%
    Fresh 30.23%
    Spicy 28.1%
    Rose 27.95%
    Citrus 26.47%
    Dry 26.25%

     

    Flavor
    Green 34.61%
    Mild 22.83%
    Floral 21.99%
    Green pepper 19.13%
    Creosote 19.12%
    Tomato leaf 19.07%
    Yeasty 19.04%
    Blackberry 18.83%
    Turnup 18.79%
    Syrup 18.78%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    7.13 (neutral)

    Molecular weight
    185.69 g/mol

    Melting point expt.

    • 469 °F (NTP, 1992)
    • 243 °C

    Boiling point

    • greater than 275 °F at 760 mmHg (decomposes) (NTP, 1992)
    • >135 °C (Some decomp)

    Flash point

    • -29.2 ˚C est.

    Solubility expt.

    • greater than or equal to 100 mg/mL at 65.3 °F (NTP, 1992)
    • VERY SOL IN WATER, SOL IN HOT ACETONE
    • Readily sol in ethanol, butanol, and water; slightly sol in butyl phthalate and tributyl phosphate
    • >27.9 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • Benzyltrimethylammonium chloride
    • 56-93-9
    • Tmbac
    • Benzenemethanaminium, N,N,N-trimethyl-, chloride
    • TRIMETHYLBENZYLAMMONIUM CHLORIDE
    • Benzyl trimethylammonium chloride
    • Ammonium, benzyltrimethyl-, chloride
    • VNK45Y7BA1
    • Hipochem migrator j
    • DTXSID8024600
    • N,N,N-Trimethylbenzenemethanaminium chloride
    • VARIQUAT B 200
    • BTMAC 100
    • DTXCID604600
    • Benzenemethanaminium, N,N,N-trimethyl-, chloride (1:1)
    • RefChem:566996
    • 200-300-3
    • N,N,N-Trimethyl-1-phenylmethanaminium chloride
    • Benzyl trimethyl ammonium chloride
    • benzyl(trimethyl)azanium;chloride
    • Benzyltrimethyl ammonium chloride
    • MFCD00011782
    • MLS000069800
    • N,N,N-trimethyl(phenyl)methanaminium chloride
    • SMR000059199
    • trimethylbenzylamine, chloride
    • CAS-56-93-9
    • CCRIS 4587
    • HSDB 4196
    • Benzyltrimethylammonium bromide (TMBAC)
    • EINECS 200-300-3
    • UNII-VNK45Y7BA1
    • benzyltrimethylazanium chloride
    • trimethylbenzyl ammonium chloride
    • Opera_ID_418
    • EC 200-300-3
    • SCHEMBL2548
    • benzyltrimethylamonium chloride
    • benzyltrimethylarnmonium chloride
    • benzyl-trimethylammonium chloride
    • benzyltrimethyl-ammonium chloride
    • trimethyl-benzylammonium chloride
    • CHEMBL1372143
    • benzyl(trimethyl)ammonium;chloride
    • benzyl-trimethyl ammonium chloride
    • benzyl-trimethyl-ammonium chloride
    • N-benzyltrimethylammonium chloride
    • HMS2232J08
    • HMS3371A05
    • Tox21_201587
    • Tox21_303260
    • SBB055074
    • AKOS001098667
    • trimethyl-(phenylmethyl)azanium chloride
    • NCGC00090720-01
    • NCGC00090720-02
    • NCGC00257093-01
    • NCGC00259136-01
    • trimethyl-(phenylmethyl)ammonium chloride
    • AS-11734
    • DB-050364
    • B0447
    • CS-0019417
    • NS00077217
    • ST51046799
    • N,N,N-Trimethyl-1-phenylmethanaminiumchloride
    • TRIMETHYLBENZYLAMMONIUM CHLORIDE [HSDB]
    • Benzyltrimethylammonium chloride (x% in water)
    • D72531
    • R00207
    • N-BENZYL-N,N,N-TRIMETHYLAMMONIUM CHLORIDE
    • A831246
    • Benzyltrimethylammonium chloride solution, 60% in H2O
    • Q22829137
    • F8880-1007
    • BTM; N,N,N-Trimethylbenzenemethanaminium chloride; TMBAC
    • 56-93-9

  • Applications

    Benzyltrimethylammonium chloride is a quaternary ammonium salt that functions as a cationic surfactant and phase-transfer catalyst. In industry, it serves as a cationic surfactant in household cleaners and detergents to improve wetting, emulsification, and cleaning performance. In cosmetics and personal care, it can act as a conditioning and emulsifying surfactant in a range of formulations; it also helps stabilize emulsions and improve feel on skin or hair. It is also used as a phase-transfer catalyst to facilitate a variety of organic syntheses, enabling efficient alkylations and related transformations. In coatings, inks, and polymer-related processes, it functions as a dispersion and surfactant additive that aids pigment stability and emulsion polymerization. Additionally, it can serve as an intermediate in the synthesis of other quaternary ammonium compounds used across multiple industries. Its use is formulation-dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 186.0
    methanol 174.76
    isopropanol 135.5
    water 1.82
    ethyl acetate 116.79
    n-propanol 180.73
    acetone 113.04
    n-butanol 175.72
    acetonitrile 106.65
    DMF 186.5
    toluene 121.19
    isobutanol 141.07
    1,4-dioxane 263.16
    methyl acetate 129.11
    THF 306.7
    2-butanone 129.41
    n-pentanol 105.14
    sec-butanol 140.29
    n-hexane 74.29
    ethylene glycol 91.32
    NMP 236.43
    cyclohexane 137.97
    DMSO 128.9
    n-butyl acetate 206.48
    n-octanol 108.43
    chloroform 604.68
    n-propyl acetate 94.22
    acetic acid 225.85
    dichloromethane 389.92
    cyclohexanone 238.73
    propylene glycol 129.05
    isopropyl acetate 73.54
    DMAc 159.44
    2-ethoxyethanol 138.57
    isopentanol 119.07
    n-heptane 182.6
    ethyl formate 111.13
    1,2-dichloroethane 185.26
    n-hexanol 332.15
    2-methoxyethanol 213.88
    isobutyl acetate 87.64
    tetrachloromethane 142.18
    n-pentyl acetate 90.13
    transcutol 273.51
    n-heptanol 138.79
    ethylbenzene 71.62
    MIBK 69.54
    2-propoxyethanol 322.86
    tert-butanol 176.23
    MTBE 128.33
    2-butoxyethanol 170.85
    propionic acid 188.3
    o-xylene 100.15
    formic acid 77.47
    diethyl ether 124.73
    m-xylene 91.89
    p-xylene 96.01
    chlorobenzene 142.44
    dimethyl carbonate 66.72
    n-octane 44.69
    formamide 60.54
    cyclopentanone 244.98
    2-pentanone 101.72
    anisole 114.26
    cyclopentyl methyl ether 193.38
    gamma-butyrolactone 275.25
    1-methoxy-2-propanol 162.34
    pyridine 214.41
    3-pentanone 102.41
    furfural 269.19
    n-dodecane 28.56
    diethylene glycol 225.67
    diisopropyl ether 53.13
    tert-amyl alcohol 153.53
    acetylacetone 92.89
    n-hexadecane 30.97
    acetophenone 105.97
    methyl propionate 116.93
    isopentyl acetate 171.73
    trichloroethylene 368.58
    n-nonanol 98.09
    cyclohexanol 210.25
    benzyl alcohol 102.99
    2-ethylhexanol 222.26
    isooctanol 99.54
    dipropyl ether 240.32
    1,2-dichlorobenzene 148.8
    ethyl lactate 91.16
    propylene carbonate 218.02
    n-methylformamide 109.4
    2-pentanol 109.52
    n-pentane 78.22
    1-propoxy-2-propanol 264.66
    1-methoxy-2-propyl acetate 168.53
    2-(2-methoxypropoxy) propanol 143.73
    mesitylene 68.02
    ε-caprolactone 206.58
    p-cymene 116.93
    epichlorohydrin 222.73
    1,1,1-trichloroethane 234.77
    2-aminoethanol 148.94
    morpholine-4-carbaldehyde 244.2
    sulfolane 295.94
    2,2,4-trimethylpentane 43.84
    2-methyltetrahydrofuran 229.14
    n-hexyl acetate 127.52
    isooctane 30.66
    2-(2-butoxyethoxy)ethanol 174.48
    sec-butyl acetate 68.67
    tert-butyl acetate 92.85
    decalin 56.09
    glycerin 155.87
    diglyme 274.27
    acrylic acid 181.37
    isopropyl myristate 68.14
    n-butyric acid 211.91
    acetyl acetate 89.24
    di(2-ethylhexyl) phthalate 85.02
    ethyl propionate 90.95
    nitromethane 174.45
    1,2-diethoxyethane 121.85
    benzonitrile 140.24
    trioctyl phosphate 68.97
    1-bromopropane 167.93
    gamma-valerolactone 270.36
    n-decanol 82.5
    triethyl phosphate 99.58
    4-methyl-2-pentanol 68.33
    propionitrile 132.79
    vinylene carbonate 209.69
    1,1,2-trichlorotrifluoroethane 312.84
    DMS 97.51
    cumene 67.59
    2-octanol 77.33
    2-hexanone 90.46
    octyl acetate 93.25
    limonene 172.88
    1,2-dimethoxyethane 194.19
    ethyl orthosilicate 105.03
    tributyl phosphate 76.22
    diacetone alcohol 114.11
    N,N-dimethylaniline 103.48
    acrylonitrile 137.5
    aniline 137.4
    1,3-propanediol 141.75
    bromobenzene 153.08
    dibromomethane 307.61
    1,1,2,2-tetrachloroethane 342.81
    2-methyl-cyclohexyl acetate 161.57
    tetrabutyl urea 89.94
    diisobutyl methanol 120.24
    2-phenylethanol 158.69
    styrene 79.81
    dioctyl adipate 104.95
    dimethyl sulfate 90.57
    ethyl butyrate 156.78
    methyl lactate 103.0
    butyl lactate 105.13
    diethyl carbonate 118.96
    propanediol butyl ether 138.77
    triethyl orthoformate 133.85
    p-tert-butyltoluene 118.92
    methyl 4-tert-butylbenzoate 137.72
    morpholine 285.21
    tert-butylamine 151.99
    n-dodecanol 72.92
    dimethoxymethane 127.49
    ethylene carbonate 169.9
    cyrene 150.15
    2-ethoxyethyl acetate 103.63
    2-ethylhexyl acetate 158.18
    1,2,4-trichlorobenzene 182.33
    4-methylpyridine 173.07
    dibutyl ether 108.91
    2,6-dimethyl-4-heptanol 120.24
    DEF 132.14
    dimethyl isosorbide 237.39
    tetrachloroethylene 257.94
    eugenol 133.86
    triacetin 133.57
    span 80 175.99
    1,4-butanediol 81.47
    1,1-dichloroethane 206.6
    2-methyl-1-pentanol 86.76
    methyl formate 97.11
    2-methyl-1-butanol 134.09
    n-decane 45.98
    butyronitrile 143.59
    3,7-dimethyl-1-octanol 103.3
    1-chlorooctane 101.76
    1-chlorotetradecane 50.2
    n-nonane 50.21
    undecane 35.06
    tert-butylcyclohexane 57.99
    cyclooctane 61.66
    cyclopentanol 194.06
    tetrahydropyran 267.63
    tert-amyl methyl ether 122.19
    2,5,8-trioxanonane 214.72
    1-hexene 120.08
    2-isopropoxyethanol 110.6
    2,2,2-trifluoroethanol 96.46
    methyl butyrate 114.81

    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