Cetylpyridinium Bromide

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  • Identifiers

    CAS number
    140-72-7

    Molecular formula
    C21H38BrN

    SMILES
    CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 74.74%
    Fatty 47.28%
    Oily 36.09%
    Meaty 22.6%
    Fishy 22.4%
    Burnt 21.74%
    Sweet 21.0%
    Odorless 19.1%
    Savory 18.12%
    Animal 17.57%

     

    Flavor
    Waxy 39.87%
    Alkane 33.77%
    Mild 25.33%
    Bland 22.65%
    Slightly waxy 21.74%
    Delicate 21.21%
    Incense 20.2%
    Diterpene 20.15%
    Low 19.91%
    Citrus peel 19.73%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    8.84 (weak base)

    Molecular weight
    384.4 g/mol

    Melting point expt.

    • 64.5 °C

    Flash point

    • 182.21 ˚C est.

    Solubility expt.

    • Soluble in acetone, ethanol, and chloroform

  • Synonyms

    • CETYLPYRIDINIUM BROMIDE
    • 140-72-7
    • Hexadecylpyridinium bromide
    • 1-Hexadecylpyridinium bromide
    • Cetapharm
    • Nitrogenol
    • Sterogenal
    • Sterogenol
    • Bromocet
    • Cetasol
    • Cetazol
    • Cetazolin
    • Seprisan
    • Hexadecylpyridine bromide
    • Hexadecylpyridiniumbromide
    • N-Hexadecylpyridinium bromide
    • Acetoquat CPB
    • Morpan CBP
    • TsPB
    • Cetyl pyridinium bromide
    • Cetylpyridine bromide
    • N-Cetylpyridinium bromide
    • 1-Cetylpyridinium bromide
    • Pyridinium, 1-hexadecyl-, bromide
    • O77BKZ14DE
    • DTXSID3033307
    • NSC-8495
    • DTXCID1013307
    • CHEBI:77052
    • CPyBr cpd
    • RefChem:124728
    • 205-428-3
    • 1-hexadecylpyridin-1-ium bromide
    • Pyridinium, 1-hexadecyl-, bromide (1:1)
    • 1-hexadecylpyridin-1-ium;bromide
    • MFCD00011988
    • NCGC00091023-01
    • Caswell No. 166
    • MLS002695907
    • Hexadecyl pyridinium bromide
    • CAS-140-72-7
    • HSDB 6859
    • NSC 8495
    • SMR001398783
    • EINECS 205-428-3
    • (1-Hexadecyl)pyridinium bromide monohydrate
    • UNII-O77BKZ14DE
    • EPA Pesticide Chemical Code 069118
    • hexadecylpyridine, bromide
    • Hexadecylpyridinium (bromide)
    • SCHEMBL151799
    • CHEMBL334255
    • orb2942097
    • NSC8495
    • HMS3087C22
    • Tox21_111061
    • Tox21_201549
    • Tox21_303438
    • CETYLPYRIDINIUM BROMIDE [HSDB]
    • AKOS005080912
    • Tox21_111061_1
    • CS-W011754
    • FH37372
    • Hexadecylpyridinium bromide, >=97.0%
    • HY-W011038
    • CETYLPYRIDINIUM BROMIDE [WHO-DD]
    • NCGC00091023-06
    • NCGC00257401-01
    • NCGC00259098-01
    • DB-050403
    • H0162
    • NS00079614
    • ST51037192
    • F11209
    • 12N-193
    • Q27146586
    • 140-72-7

  • Applications

    Cetylpyridinium Bromide (CAS 140-72-7) is a quaternary ammonium cationic surfactant with antimicrobial properties that finds use across several end-use segments: in oral hygiene products such as mouthwashes and dentifrices as an antiseptic and surfactant; in cosmetics and personal care as a surfactant and antimicrobial additive; in household cleaning products as a disinfectant and surface cleaner; in industrial manufacturing and coatings/inks as an antimicrobial additive and surface-active agent; and in polymers and plastics to impart antimicrobial properties on finished surfaces.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 285.9
    methanol 149.94
    isopropanol 335.45
    water 0.07
    ethyl acetate 1618.99
    n-propanol 400.46
    acetone 1486.38
    n-butanol 526.0
    acetonitrile 398.61
    DMF 900.62
    toluene 840.77
    isobutanol 411.08
    1,4-dioxane 1735.53
    methyl acetate 965.67
    THF 3666.71
    2-butanone 1371.53
    n-pentanol 325.55
    sec-butanol 426.83
    n-hexane 540.89
    ethylene glycol 13.87
    NMP 1605.81
    cyclohexane 2520.84
    DMSO 1370.66
    n-butyl acetate 2099.36
    n-octanol 270.15
    chloroform 3931.01
    n-propyl acetate 1543.65
    acetic acid 343.98
    dichloromethane 4596.73
    cyclohexanone 3513.37
    propylene glycol 39.02
    isopropyl acetate 1379.18
    DMAc 1285.51
    2-ethoxyethanol 447.84
    isopentanol 613.95
    n-heptane 966.72
    ethyl formate 658.86
    1,2-dichloroethane 3503.21
    n-hexanol 475.42
    2-methoxyethanol 515.89
    isobutyl acetate 1072.46
    tetrachloromethane 1471.1
    n-pentyl acetate 1451.5
    transcutol 1950.96
    n-heptanol 330.17
    ethylbenzene 433.41
    MIBK 1177.08
    2-propoxyethanol 679.98
    tert-butanol 583.63
    MTBE 1390.22
    2-butoxyethanol 587.44
    propionic acid 403.88
    o-xylene 636.87
    formic acid 37.23
    diethyl ether 1893.05
    m-xylene 573.28
    p-xylene 662.59
    chlorobenzene 1148.97
    dimethyl carbonate 318.69
    n-octane 231.87
    formamide 84.1
    cyclopentanone 3077.96
    2-pentanone 1590.85
    anisole 644.6
    cyclopentyl methyl ether 2502.97
    gamma-butyrolactone 2667.82
    1-methoxy-2-propanol 507.69
    pyridine 1610.21
    3-pentanone 1517.9
    furfural 1319.18
    n-dodecane 80.57
    diethylene glycol 181.65
    diisopropyl ether 829.77
    tert-amyl alcohol 584.18
    acetylacetone 1518.32
    n-hexadecane 99.24
    acetophenone 743.69
    methyl propionate 1079.13
    isopentyl acetate 1818.4
    trichloroethylene 4171.77
    n-nonanol 287.15
    cyclohexanol 1120.18
    benzyl alcohol 340.0
    2-ethylhexanol 666.31
    isooctanol 382.52
    dipropyl ether 2704.27
    1,2-dichlorobenzene 1160.28
    ethyl lactate 357.64
    propylene carbonate 1394.18
    n-methylformamide 301.29
    2-pentanol 486.93
    n-pentane 471.76
    1-propoxy-2-propanol 917.73
    1-methoxy-2-propyl acetate 1343.78
    2-(2-methoxypropoxy) propanol 397.36
    mesitylene 481.54
    ε-caprolactone 2356.52
    p-cymene 544.02
    epichlorohydrin 2782.51
    1,1,1-trichloroethane 3290.97
    2-aminoethanol 59.76
    morpholine-4-carbaldehyde 1192.87
    sulfolane 2983.98
    2,2,4-trimethylpentane 250.59
    2-methyltetrahydrofuran 2816.08
    n-hexyl acetate 1101.87
    isooctane 148.72
    2-(2-butoxyethoxy)ethanol 592.04
    sec-butyl acetate 1156.21
    tert-butyl acetate 1690.22
    decalin 423.47
    glycerin 59.24
    diglyme 1846.82
    acrylic acid 228.42
    isopropyl myristate 466.05
    n-butyric acid 1079.47
    acetyl acetate 963.81
    di(2-ethylhexyl) phthalate 243.78
    ethyl propionate 1278.02
    nitromethane 820.02
    1,2-diethoxyethane 2059.82
    benzonitrile 587.46
    trioctyl phosphate 237.57
    1-bromopropane 2352.69
    gamma-valerolactone 2657.28
    n-decanol 200.66
    triethyl phosphate 714.52
    4-methyl-2-pentanol 357.67
    propionitrile 574.69
    vinylene carbonate 972.24
    1,1,2-trichlorotrifluoroethane 1282.74
    DMS 633.27
    cumene 345.41
    2-octanol 281.68
    2-hexanone 1199.82
    octyl acetate 495.2
    limonene 1131.13
    1,2-dimethoxyethane 1597.65
    ethyl orthosilicate 802.16
    tributyl phosphate 333.3
    diacetone alcohol 978.22
    N,N-dimethylaniline 488.18
    acrylonitrile 444.27
    aniline 643.3
    1,3-propanediol 185.01
    bromobenzene 1475.84
    dibromomethane 3153.0
    1,1,2,2-tetrachloroethane 4119.08
    2-methyl-cyclohexyl acetate 1068.11
    tetrabutyl urea 466.98
    diisobutyl methanol 582.21
    2-phenylethanol 373.24
    styrene 524.29
    dioctyl adipate 578.47
    dimethyl sulfate 584.25
    ethyl butyrate 2120.59
    methyl lactate 250.12
    butyl lactate 665.75
    diethyl carbonate 1013.6
    propanediol butyl ether 269.96
    triethyl orthoformate 1560.03
    p-tert-butyltoluene 503.33
    methyl 4-tert-butylbenzoate 699.56
    morpholine 2015.23
    tert-butylamine 535.2
    n-dodecanol 159.21
    dimethoxymethane 988.05
    ethylene carbonate 1140.46
    cyrene 422.09
    2-ethoxyethyl acetate 1291.68
    2-ethylhexyl acetate 1622.34
    1,2,4-trichlorobenzene 1290.67
    4-methylpyridine 1386.34
    dibutyl ether 1423.05
    2,6-dimethyl-4-heptanol 582.21
    DEF 1796.21
    dimethyl isosorbide 997.76
    tetrachloroethylene 2937.86
    eugenol 422.93
    triacetin 893.37
    span 80 397.04
    1,4-butanediol 68.52
    1,1-dichloroethane 2659.46
    2-methyl-1-pentanol 398.01
    methyl formate 265.43
    2-methyl-1-butanol 538.87
    n-decane 193.52
    butyronitrile 794.99
    3,7-dimethyl-1-octanol 402.98
    1-chlorooctane 591.67
    1-chlorotetradecane 200.39
    n-nonane 213.86
    undecane 114.66
    tert-butylcyclohexane 298.79
    cyclooctane 624.07
    cyclopentanol 900.18
    tetrahydropyran 3573.87
    tert-amyl methyl ether 1149.35
    2,5,8-trioxanonane 841.75
    1-hexene 809.16
    2-isopropoxyethanol 460.82
    2,2,2-trifluoroethanol 167.44
    methyl butyrate 1727.05

    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