Benzododecinium Bromide

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  • Identifiers

    CAS number
    7281-04-1

    Molecular formula
    C21H38BrN

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

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Waxy 63.82%
    Fatty 40.5%
    Oily 37.15%
    Green 29.31%
    Floral 26.53%
    Balsamic 24.46%
    Fresh 23.34%
    Sweet 22.68%
    Woody 22.56%
    Burnt 21.44%

     

    Flavor
    Mild 24.75%
    Waxy 23.28%
    Bland 22.72%
    Delicate 21.23%
    Slightly waxy 19.86%
    Diterpene 19.84%
    Low 19.17%
    Oriental 18.96%
    Skunky 18.79%
    Beer 18.5%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    7.97 (neutral)

    Molecular weight
    384.4 g/mol

    Flash point

    • 98.8 ˚C est.

  • Synonyms

    • Benzododecinium bromide
    • Sterinol
    • N-Benzyl-N,N-dimethyldodecan-1-aminium bromide
    • Bacfor BL
    • Lauralkonium bromide
    • Sinnoquat BL 80
    • Sinnoquat BL 95
    • Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide
    • N-Dodecyl-N,N-dimethylbenzenemethanaminium bromide
    • Ammonyl BR 1244
    • Caswell No. 416B
    • Dodecyl dimethyl benzyl ammonium bromide
    • IRY12B2TQ6
    • Dimethyl laurylbenzene ammonium bromide
    • Ammonium, benzyldodecyldimethyl-, bromide
    • EINECS 230-698-4
    • UNII-IRY12B2TQ6
    • EPA Pesticide Chemical Code 069123
    • CHEBI:167207
    • Bromek dwumetylolaurylobenzyloamoniowy
    • BENZODODECINIUM BROMIDE (II)
    • BENZODODECINIUM BROMIDE [II]
    • BENZODODECINIUM BROMIDE (MART.)
    • BENZODODECINIUM BROMIDE [MART.]
    • RefChem:54497
    • Youjie Weishi Antibacterial Hand Wash
    • Benzyldodecyldimethylammonium bromide
    • 7281-04-1
    • Benzyldimethyldodecylammonium bromide
    • benzyl-dodecyl-dimethylazanium;bromide
    • 91080-29-4
    • MFCD00011768
    • DTXSID4048698
    • DTXCID4028624
    • CAS-7281-04-1
    • NCGC00164245-02
    • Benzododecenium
    • Benzododecinium bromure
    • Bromek dwumetylolaurylobenzyloamoniowy [Polish]
    • Benzalkonium bromide (C12)
    • orb320812
    • SCHEMBL119589
    • orb3025864
    • CHEMBL2355417
    • MSK2529
    • KHSLHYAUZSPBIU-UHFFFAOYSA-M
    • dimethyldodecylbenzylammonium bromide
    • Tox21_113091
    • AKOS015891185
    • Tox21_113091_1
    • FB63012
    • HY-W099594
    • BENZODODECINIUM BROMIDE [WHO-DD]
    • benzyl-dodecyl-dimethyl-ammonium;bromide
    • NCGC00164245-03
    • BS-44064
    • DB-056433
    • DB-253922
    • B3748
    • BENZYL(DODECYL)DIMETHYLAZANIUM BROMIDE
    • CS-0152236
    • NS00080681
    • N-Benzyl-N,N-dimethyldodecan-1-aminiumbromide
    • D87631
    • N-Benzyl-N,N-dimethyldodecan-1-amonium bromide
    • N-Benzyl-N,N-dimethyldodecan-1-ammonium bromide
    • n-dodecyl-n,n-dimethyl-benzenemethanaminiubromide
    • F689652
    • Q4890794
    • Benzalkonium bromide Dimethyl benzyl lauryl ammonium bromide
    • Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide (1:1)
    • 7281-04-1

  • Applications

    Benzododecinium bromide (CAS 7281-04-1) is a quaternary ammonium salt that functions as a cationic surfactant with antimicrobial properties, and is used across formulations in cosmetics/personal care (conditioning and emulsification), cleaning and household products (surfactant and disinfectant components), coatings and inks (wetting agent and antimicrobial additive), polymer and plastics processing (processing aid and surface modifier/antistatic agent), and adhesives formulation (surfactant and compatibility enhancer).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1744.39
    methanol 689.44
    isopropanol 1833.92
    water 0.07
    ethyl acetate 4815.62
    n-propanol 2266.74
    acetone 4335.91
    n-butanol 2772.97
    acetonitrile 1008.07
    DMF 1755.96
    toluene 2230.76
    isobutanol 2068.88
    1,4-dioxane 5242.1
    methyl acetate 2602.52
    THF 6978.48
    2-butanone 3555.51
    n-pentanol 1691.22
    sec-butanol 2031.68
    n-hexane 1682.78
    ethylene glycol 58.46
    NMP 1796.13
    cyclohexane 5079.76
    DMSO 1986.55
    n-butyl acetate 5269.41
    n-octanol 925.94
    chloroform 7885.08
    n-propyl acetate 3671.18
    acetic acid 947.86
    dichloromethane 7464.81
    cyclohexanone 6895.65
    propylene glycol 183.76
    isopropyl acetate 3704.99
    DMAc 1960.57
    2-ethoxyethanol 1732.2
    isopentanol 2814.86
    n-heptane 2376.88
    ethyl formate 1828.39
    1,2-dichloroethane 5828.78
    n-hexanol 2352.92
    2-methoxyethanol 1850.46
    isobutyl acetate 2610.25
    tetrachloromethane 2255.73
    n-pentyl acetate 3031.22
    transcutol 5443.36
    n-heptanol 1205.65
    ethylbenzene 1060.88
    MIBK 2925.97
    2-propoxyethanol 2480.37
    tert-butanol 2537.19
    MTBE 5238.74
    2-butoxyethanol 1832.82
    propionic acid 1088.66
    o-xylene 1351.22
    formic acid 85.56
    diethyl ether 6878.62
    m-xylene 1363.19
    p-xylene 1407.84
    chlorobenzene 2254.69
    dimethyl carbonate 738.84
    n-octane 581.21
    formamide 156.9
    cyclopentanone 4530.74
    2-pentanone 4539.76
    anisole 1409.62
    cyclopentyl methyl ether 5397.32
    gamma-butyrolactone 3532.71
    1-methoxy-2-propanol 1766.5
    pyridine 3063.77
    3-pentanone 3451.64
    furfural 1992.24
    n-dodecane 198.26
    diethylene glycol 676.85
    diisopropyl ether 2567.44
    tert-amyl alcohol 2255.04
    acetylacetone 3149.87
    n-hexadecane 238.5
    acetophenone 1330.42
    methyl propionate 2624.01
    isopentyl acetate 4439.73
    trichloroethylene 6991.79
    n-nonanol 886.81
    cyclohexanol 3281.86
    benzyl alcohol 846.99
    2-ethylhexanol 2368.61
    isooctanol 1211.85
    dipropyl ether 6530.8
    1,2-dichlorobenzene 1876.75
    ethyl lactate 810.56
    propylene carbonate 2236.77
    n-methylformamide 641.59
    2-pentanol 2215.74
    n-pentane 1551.22
    1-propoxy-2-propanol 2756.55
    1-methoxy-2-propyl acetate 2825.78
    2-(2-methoxypropoxy) propanol 895.09
    mesitylene 1047.74
    ε-caprolactone 4647.96
    p-cymene 1066.78
    epichlorohydrin 4883.2
    1,1,1-trichloroethane 6093.31
    2-aminoethanol 252.0
    morpholine-4-carbaldehyde 2291.42
    sulfolane 3326.22
    2,2,4-trimethylpentane 690.95
    2-methyltetrahydrofuran 6189.02
    n-hexyl acetate 2647.14
    isooctane 511.61
    2-(2-butoxyethoxy)ethanol 1631.03
    sec-butyl acetate 2713.28
    tert-butyl acetate 3992.34
    decalin 964.45
    glycerin 206.47
    diglyme 4067.27
    acrylic acid 550.76
    isopropyl myristate 1012.08
    n-butyric acid 3068.5
    acetyl acetate 2212.48
    di(2-ethylhexyl) phthalate 503.69
    ethyl propionate 2931.23
    nitromethane 1730.03
    1,2-diethoxyethane 4752.46
    benzonitrile 1240.98
    trioctyl phosphate 494.78
    1-bromopropane 5284.77
    gamma-valerolactone 4600.29
    n-decanol 603.04
    triethyl phosphate 1101.57
    4-methyl-2-pentanol 1397.29
    propionitrile 1501.04
    vinylene carbonate 1642.93
    1,1,2-trichlorotrifluoroethane 2414.78
    DMS 1203.22
    cumene 773.9
    2-octanol 879.41
    2-hexanone 3014.24
    octyl acetate 1101.16
    limonene 2323.72
    1,2-dimethoxyethane 4624.68
    ethyl orthosilicate 1389.31
    tributyl phosphate 644.17
    diacetone alcohol 2307.15
    N,N-dimethylaniline 976.44
    acrylonitrile 970.27
    aniline 1527.47
    1,3-propanediol 738.8
    bromobenzene 2701.24
    dibromomethane 5615.67
    1,1,2,2-tetrachloroethane 6785.65
    2-methyl-cyclohexyl acetate 1998.85
    tetrabutyl urea 866.85
    diisobutyl methanol 1498.69
    2-phenylethanol 984.53
    styrene 1221.49
    dioctyl adipate 1097.41
    dimethyl sulfate 927.28
    ethyl butyrate 4213.61
    methyl lactate 605.17
    butyl lactate 1348.92
    diethyl carbonate 1899.75
    propanediol butyl ether 806.05
    triethyl orthoformate 2920.09
    p-tert-butyltoluene 1010.1
    methyl 4-tert-butylbenzoate 1194.67
    morpholine 5714.0
    tert-butylamine 2222.34
    n-dodecanol 463.93
    dimethoxymethane 2724.42
    ethylene carbonate 2082.55
    cyrene 750.17
    2-ethoxyethyl acetate 2723.92
    2-ethylhexyl acetate 3750.17
    1,2,4-trichlorobenzene 2025.8
    4-methylpyridine 3043.34
    dibutyl ether 3710.31
    2,6-dimethyl-4-heptanol 1498.69
    DEF 3749.37
    dimethyl isosorbide 1658.72
    tetrachloroethylene 4740.17
    eugenol 809.59
    triacetin 1690.84
    span 80 948.65
    1,4-butanediol 304.3
    1,1-dichloroethane 5535.9
    2-methyl-1-pentanol 1712.8
    methyl formate 597.98
    2-methyl-1-butanol 2358.62
    n-decane 487.06
    butyronitrile 2610.73
    3,7-dimethyl-1-octanol 1175.91
    1-chlorooctane 1381.25
    1-chlorotetradecane 424.69
    n-nonane 571.65
    undecane 289.64
    tert-butylcyclohexane 766.25
    cyclooctane 1428.95
    cyclopentanol 2138.92
    tetrahydropyran 9864.81
    tert-amyl methyl ether 3420.0
    2,5,8-trioxanonane 1732.62
    1-hexene 3070.09
    2-isopropoxyethanol 1571.29
    2,2,2-trifluoroethanol 329.65
    methyl butyrate 3870.67

    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