Domiphen Bromide

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  • Identifiers

    CAS number
    538-71-6

    Molecular formula
    C22H40BrNO

    SMILES
    CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1.[Br-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 55.3%
    Floral 51.82%
    Oily 37.57%
    Fatty 35.53%
    Fruity 34.9%
    Fresh 33.22%
    Green 33.11%
    Balsamic 33.07%
    Sweet 30.91%
    Rose 29.48%

     

    Flavor
    Mild 33.39%
    Waxy 30.11%
    Bland 25.52%
    Oily 23.79%
    Delicate 22.09%
    Slightly waxy 21.26%
    Diterpene 20.39%
    Beer 20.27%
    Green pepper 19.99%
    Low 19.93%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.67 (neutral)

    Molecular weight
    414.5 g/mol

    Melting point expt.

    • 112-113 °C

    Flash point

    • 97.27 ˚C est.

    Solubility expt.

    • Freely soluble in water (100 g/100 mL), much less sol at low temps. Soluble in ethanol, acetone, ethyl acetate, chloroform; very slightly soluble in benzene

  • Synonyms

    • domiphen bromide
    • 538-71-6
    • Oradol
    • Phenododecinium bromide
    • 1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide
    • Bromuro de domifeno
    • Bromure de domiphene
    • NSC-39415
    • Domipheni bromidum
    • R4CY19YS7C
    • Dodecyldimethyl(2-phenoxyethyl)ammonium bromide
    • DTXSID5033468
    • DTXCID3013468
    • domifene bromuro
    • RefChem:590363
    • A01AB06
    • NSC39415
    • 208-702-0
    • N,N-dimethyl-N-(2-phenoxyethyl)dodecan-1-aminium bromide
    • Domiphen (bromide)
    • MFCD00011769
    • (Dodecyldimethyl-2-phenoxyethyl)ammonium bromide
    • NCGC00091010-01
    • Bradasol
    • Bradonit
    • Bradoral
    • Fungitex
    • 538-71-6 (Br)
    • Bradosol bromide
    • Fungitex R
    • dodecyldimethyl(2-phenoxyethyl)azanium bromide
    • 1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide (1:1)
    • CAS-538-71-6
    • dodecyldimethyl(2-phenoxyethyl)amine, bromide
    • Domipheni bromidum [INN-Latin]
    • HSDB 7236
    • Bromure de domiphene [INN-French]
    • Bromuro de domifeno [INN-Spanish]
    • NCGC00091010-03
    • EINECS 208-702-0
    • C22H40BrNO
    • UNII-R4CY19YS7C
    • Bradosol
    • beta-Phenoxyethyldimethyldodecylammonium bromide
    • Ammonium bromide, dodecyldimethyl(2-phenoxyethyl)-
    • Oradol (TN)
    • Domiphen bromide [USAN:INN:BAN:JAN]
    • Domiphen bromide, 97%
    • Dodecyldimethyl (2-phenoxyethyl) ammonium bromide
    • DOMIPHEN BROMIDE [MI]
    • SCHEMBL117152
    • Ammonium, dimethyldodecyl(2-phenoxyethyl)-, bromide
    • Ammonium, dodecyldimethyl(2-phenoxyethyl)-, bromide
    • DOMIPHEN BROMIDE [INN]
    • DOMIPHEN BROMIDE [JAN]
    • CHEMBL486696
    • DOMIPHEN BROMIDE [HSDB]
    • DOMIPHEN BROMIDE [USAN]
    • DOMIPHEN BROMIDE [VANDF]
    • CHEBI:31514
    • DOMIPHEN BROMIDE [MART.]
    • DOMIPHEN BROMIDE [WHO-DD]
    • HMS3652L07
    • HMS5082B08
    • Domiphen bromide (JAN/USAN/INN)
    • HY-B1467
    • Tox21_111054
    • Tox21_200219
    • EBC-27011
    • s4186
    • SBB058315
    • AKOS003387020
    • Tox21_111054_1
    • CCG-268817
    • CS-5156
    • FD33327
    • MSK002031-100W
    • NCGC00257773-01
    • AC-15736
    • AS-12368
    • DA-52658
    • ST088109
    • SY101182
    • NS00100399
    • SW219200-1
    • Domiphen bromide Solution in Water, 100ug/mL
    • D01588
    • SBI-0653904.0001
    • dodecyl-dimethyl-(2-phenoxyethyl)ammonium;bromide
    • dodecyl-dimethyl-(2-phenoxyethyl)azanium;bromide
    • EN300-22867922
    • F863984
    • SR-01000883678
    • Q4165880
    • SR-01000883678-1
    • N,N-dimethyl-N-(2-phenoxyethyl)dodecan-1-aminiumbromide
    • DODECYL-DIMETHYL-(2-PHENOXY-ETHYL)-AMMONIUM, BROMIDE
    • 538-71-6

  • Applications

    Domiphen bromide (CAS 538-71-6) is a quaternary ammonium cationic surfactant with antimicrobial properties that finds broad use as an active disinfectant in healthcare, institutional, and domestic cleaning products. It is commonly formulated into surface disinfectants and sanitizers for floors, equipment, and hard surfaces, and it may also appear in some cosmetic and personal-care products as an antimicrobial surfactant. In topical pharmaceuticals, it can serve as an antimicrobial component in antiseptic preparations. In industry, it is used as a functional surfactant/additive in specialty cleaners, coatings, inks, and other cleaning formulations. Its use is typically controlled by formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2635.85
    methanol 1575.92
    isopropanol 2364.22
    water 0.67
    ethyl acetate 5357.17
    n-propanol 2878.24
    acetone 4234.08
    n-butanol 3187.9
    acetonitrile 1540.15
    DMF 1597.41
    toluene 1457.47
    isobutanol 2413.71
    1,4-dioxane 5001.42
    methyl acetate 3044.73
    THF 5212.94
    2-butanone 3461.15
    n-pentanol 1813.56
    sec-butanol 2540.3
    n-hexane 932.27
    ethylene glycol 115.08
    NMP 1790.37
    cyclohexane 3903.24
    DMSO 2647.64
    n-butyl acetate 3509.07
    n-octanol 790.16
    chloroform 9461.57
    n-propyl acetate 3660.61
    acetic acid 1982.54
    dichloromethane 9358.36
    cyclohexanone 6254.75
    propylene glycol 294.19
    isopropyl acetate 3487.04
    DMAc 2147.05
    2-ethoxyethanol 2261.78
    isopentanol 2762.81
    n-heptane 976.51
    ethyl formate 2151.88
    1,2-dichloroethane 7101.99
    n-hexanol 1618.64
    2-methoxyethanol 2454.25
    isobutyl acetate 2072.43
    tetrachloromethane 2671.53
    n-pentyl acetate 2928.14
    transcutol 5834.69
    n-heptanol 984.34
    ethylbenzene 799.49
    MIBK 2340.63
    2-propoxyethanol 2217.83
    tert-butanol 2761.3
    MTBE 4286.33
    2-butoxyethanol 1744.72
    propionic acid 1880.32
    o-xylene 1045.66
    formic acid 302.89
    diethyl ether 5843.53
    m-xylene 923.93
    p-xylene 1106.16
    chlorobenzene 2074.29
    dimethyl carbonate 697.47
    n-octane 285.23
    formamide 517.38
    cyclopentanone 3706.17
    2-pentanone 3722.67
    anisole 1230.4
    cyclopentyl methyl ether 4201.67
    gamma-butyrolactone 3558.19
    1-methoxy-2-propanol 2105.68
    pyridine 3008.07
    3-pentanone 2856.36
    furfural 2269.64
    n-dodecane 110.6
    diethylene glycol 808.06
    diisopropyl ether 1897.79
    tert-amyl alcohol 2588.95
    acetylacetone 3000.22
    n-hexadecane 133.51
    acetophenone 1269.6
    methyl propionate 2578.44
    isopentyl acetate 3010.8
    trichloroethylene 8116.98
    n-nonanol 756.47
    cyclohexanol 3706.87
    benzyl alcohol 880.03
    2-ethylhexanol 1408.39
    isooctanol 978.32
    dipropyl ether 3373.29
    1,2-dichlorobenzene 1902.32
    ethyl lactate 934.88
    propylene carbonate 2390.78
    n-methylformamide 1022.29
    2-pentanol 2459.93
    n-pentane 958.66
    1-propoxy-2-propanol 2158.52
    1-methoxy-2-propyl acetate 2211.98
    2-(2-methoxypropoxy) propanol 822.75
    mesitylene 728.93
    ε-caprolactone 4948.22
    p-cymene 676.01
    epichlorohydrin 5039.41
    1,1,1-trichloroethane 6474.63
    2-aminoethanol 474.77
    morpholine-4-carbaldehyde 2341.41
    sulfolane 3227.07
    2,2,4-trimethylpentane 480.38
    2-methyltetrahydrofuran 5282.85
    n-hexyl acetate 2452.7
    isooctane 296.14
    2-(2-butoxyethoxy)ethanol 1478.03
    sec-butyl acetate 2533.21
    tert-butyl acetate 3439.81
    decalin 636.07
    glycerin 351.03
    diglyme 3768.01
    acrylic acid 944.95
    isopropyl myristate 736.99
    n-butyric acid 4340.08
    acetyl acetate 2587.29
    di(2-ethylhexyl) phthalate 448.42
    ethyl propionate 2944.68
    nitromethane 3406.73
    1,2-diethoxyethane 3910.21
    benzonitrile 1252.86
    trioctyl phosphate 397.39
    1-bromopropane 5336.94
    gamma-valerolactone 4877.62
    n-decanol 483.92
    triethyl phosphate 938.34
    4-methyl-2-pentanol 1275.19
    propionitrile 1762.98
    vinylene carbonate 1942.1
    1,1,2-trichlorotrifluoroethane 3070.73
    DMS 1249.75
    cumene 580.87
    2-octanol 755.01
    2-hexanone 2515.47
    octyl acetate 884.81
    limonene 1382.51
    1,2-dimethoxyethane 4196.95
    ethyl orthosilicate 1125.77
    tributyl phosphate 556.48
    diacetone alcohol 2157.0
    N,N-dimethylaniline 760.83
    acrylonitrile 1318.69
    aniline 1379.91
    1,3-propanediol 1201.97
    bromobenzene 2339.21
    dibromomethane 6949.84
    1,1,2,2-tetrachloroethane 8066.81
    2-methyl-cyclohexyl acetate 1553.83
    tetrabutyl urea 692.5
    diisobutyl methanol 897.59
    2-phenylethanol 821.87
    styrene 939.36
    dioctyl adipate 958.81
    dimethyl sulfate 908.61
    ethyl butyrate 3078.45
    methyl lactate 750.91
    butyl lactate 1439.86
    diethyl carbonate 1566.02
    propanediol butyl ether 925.47
    triethyl orthoformate 2204.59
    p-tert-butyltoluene 614.64
    methyl 4-tert-butylbenzoate 1069.47
    morpholine 5652.51
    tert-butylamine 2131.85
    n-dodecanol 350.63
    dimethoxymethane 2339.05
    ethylene carbonate 2438.44
    cyrene 697.34
    2-ethoxyethyl acetate 2805.49
    2-ethylhexyl acetate 2503.37
    1,2,4-trichlorobenzene 2042.26
    4-methylpyridine 2605.16
    dibutyl ether 2618.08
    2,6-dimethyl-4-heptanol 897.59
    DEF 3359.76
    dimethyl isosorbide 1446.78
    tetrachloroethylene 5722.75
    eugenol 788.67
    triacetin 1790.86
    span 80 897.74
    1,4-butanediol 477.9
    1,1-dichloroethane 6181.72
    2-methyl-1-pentanol 1670.71
    methyl formate 827.8
    2-methyl-1-butanol 2614.36
    n-decane 268.65
    butyronitrile 2447.09
    3,7-dimethyl-1-octanol 894.79
    1-chlorooctane 991.38
    1-chlorotetradecane 288.19
    n-nonane 296.09
    undecane 159.18
    tert-butylcyclohexane 489.83
    cyclooctane 893.41
    cyclopentanol 2314.71
    tetrahydropyran 8530.39
    tert-amyl methyl ether 2861.69
    2,5,8-trioxanonane 1643.7
    1-hexene 1849.02
    2-isopropoxyethanol 1714.89
    2,2,2-trifluoroethanol 754.98
    methyl butyrate 3692.16

    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