Dequalinium Acetate

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  • Identifiers

    CAS number
    4028-98-2

    Molecular formula
    C34H46N4O4

    SMILES
    CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.CC(=O)[O-].CC(=O)[O-]

    Safety labels

  • Odor profile

    Fragrance
    Animal 40.07%
    Floral 34.38%
    Fatty 32.35%
    Waxy 31.49%
    Fruity 26.4%
    Burnt 25.02%
    Musk 24.88%
    Sweet 22.99%
    Odorless 19.74%
    Dry 19.56%

     

    Flavor
    Bitter 37.9%
    Mild 22.12%
    Bland 20.64%
    Very strong 20.62%
    Indole 20.22%
    Nitrile 19.66%
    Delicate 19.55%
    Cedarleaf 19.51%
    Thymol 19.48%
    Creosote 19.35%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    10.18 (weak base)

    Molecular weight
    574.8 g/mol

    Flash point

    • 323.14 ˚C est.

  • Synonyms

    • DEQUALINIUM ACETATE
    • 4028-98-2
    • Acetate, Dequalinium
    • P8W4UX112S
    • 1,1'-(decane-1,10-diyl)bis[4-amino-2-methylquinolinium] diacetate
    • DTXSID80193267
    • 1,1'-(Decane-1,10-diyl)bis(4-amino-2-methylquinolinium) diacetate
    • Quinolinium, 1,1'-(1,10-decanediyl)bis(4-amino-2-methyl-, diacetate
    • Dequalinium Diacetate
    • Diacetate, Dequalinium
    • RefChem:132045
    • DTXCID90115758
    • Quinolinium, 1,1'-(1,10-decanediyl)bis(4-amino-2-methyl-), Diacetate
    • 223-712-5
    • Dequadin acetate
    • Decalinium acetate
    • 1,1'-(decane-1,10-diyl)bis(4-amino-2-methylquinolin-1-ium) acetate
    • 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine;diacetate
    • EINECS 223-712-5
    • 1,1'-Decamethylenebis(4-aminoquinaldinium acetate)
    • UNII-P8W4UX112S
    • 1,1'-(1,10-Decanediyl)bis(4-amino-2-methylquinolinium) diacetate
    • SCHEMBL677152
    • Quinaldinium, 1,1'-decamethylenebis(4-amino-, diacetate
    • DEQUALINIUM ACETATE [WHO-DD]
    • NS00083541
    • Q27286389
    • 1,1'-(Decane-1,10-diyl)bis[4-amino-2-methylquinolinium]diacetate
    • 1,1'-(Decane-1,10-diyl)bis(4-amino-2-methylquinolin-1-ium) diacetate
    • 4028-98-2

  • Applications

    Dequalinium acetate (CAS 4028-98-2) is a quaternary ammonium compound that functions as an antimicrobial agent and cationic surfactant. In practical formulations it is frequently used as an antimicrobial additive in personal care products such as cosmetics and oral-care formulations, contributing to microbiological quality control and surface activity; it is commonly evaluated for topical antiseptic applications in pharmaceutical and medical-device contexts. It is also employed in household and institutional cleaning products as a disinfectant/surfactant blend to reduce microbial contamination. In coatings and inks, and in polymers and plastics, it can be incorporated as an antimicrobial additive to impart biocidal surface properties. In industrial manufacturing, it may serve as a component in cleaning and sanitizing formulations and as a surfactant to improve wetting and detergency, subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.36
    methanol 4.22
    isopropanol 1.5
    water 0.1
    ethyl acetate 5.54
    n-propanol 4.35
    acetone 10.21
    n-butanol 3.87
    acetonitrile 2.07
    DMF 14.65
    toluene 6.58
    isobutanol 3.08
    1,4-dioxane 16.41
    methyl acetate 7.44
    THF 61.34
    2-butanone 13.79
    n-pentanol 4.07
    sec-butanol 2.45
    n-hexane 0.35
    ethylene glycol 0.57
    NMP 49.21
    cyclohexane 0.55
    DMSO 23.69
    n-butyl acetate 7.69
    n-octanol 1.58
    chloroform 77.96
    n-propyl acetate 6.15
    acetic acid 10.55
    dichloromethane 81.42
    cyclohexanone 33.95
    propylene glycol 0.65
    isopropyl acetate 3.49
    DMAc 33.34
    2-ethoxyethanol 9.1
    isopentanol 3.6
    n-heptane 0.38
    ethyl formate 7.72
    1,2-dichloroethane 38.27
    n-hexanol 3.17
    2-methoxyethanol 10.21
    isobutyl acetate 4.51
    tetrachloromethane 11.71
    n-pentyl acetate 9.03
    transcutol 14.72
    n-heptanol 3.08
    ethylbenzene 1.85
    MIBK 4.79
    2-propoxyethanol 11.42
    tert-butanol 1.57
    MTBE 2.3
    2-butoxyethanol 10.5
    propionic acid 6.34
    o-xylene 2.7
    formic acid 5.96
    diethyl ether 3.42
    m-xylene 2.67
    p-xylene 3.39
    chlorobenzene 15.74
    dimethyl carbonate 5.62
    n-octane 0.18
    formamide 9.49
    cyclopentanone 57.29
    2-pentanone 8.69
    anisole 3.55
    cyclopentyl methyl ether 13.25
    gamma-butyrolactone 56.96
    1-methoxy-2-propanol 5.36
    pyridine 31.34
    3-pentanone 8.15
    furfural 44.33
    n-dodecane 0.1
    diethylene glycol 5.27
    diisopropyl ether 0.76
    tert-amyl alcohol 2.42
    acetylacetone 11.11
    n-hexadecane 0.11
    acetophenone 7.51
    methyl propionate 7.56
    isopentyl acetate 7.72
    trichloroethylene 92.37
    n-nonanol 1.89
    cyclohexanol 4.5
    benzyl alcohol 5.87
    2-ethylhexanol 2.45
    isooctanol 2.57
    dipropyl ether 3.65
    1,2-dichlorobenzene 12.97
    ethyl lactate 2.94
    propylene carbonate 18.47
    n-methylformamide 9.84
    2-pentanol 1.75
    n-pentane 0.27
    1-propoxy-2-propanol 7.08
    1-methoxy-2-propyl acetate 8.55
    2-(2-methoxypropoxy) propanol 5.84
    mesitylene 1.13
    ε-caprolactone 24.14
    p-cymene 1.55
    epichlorohydrin 80.79
    1,1,1-trichloroethane 21.39
    2-aminoethanol 1.93
    morpholine-4-carbaldehyde 26.94
    sulfolane 67.82
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 24.2
    n-hexyl acetate 5.53
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 8.17
    sec-butyl acetate 3.15
    tert-butyl acetate 3.83
    decalin 0.28
    glycerin 1.69
    diglyme 21.17
    acrylic acid 7.1
    isopropyl myristate 1.64
    n-butyric acid 10.2
    acetyl acetate 4.43
    di(2-ethylhexyl) phthalate 3.58
    ethyl propionate 4.08
    nitromethane 19.38
    1,2-diethoxyethane 7.19
    benzonitrile 6.38
    trioctyl phosphate 2.28
    1-bromopropane 11.4
    gamma-valerolactone 65.37
    n-decanol 1.2
    triethyl phosphate 3.69
    4-methyl-2-pentanol 1.22
    propionitrile 3.07
    vinylene carbonate 19.02
    1,1,2-trichlorotrifluoroethane 46.35
    DMS 5.66
    cumene 1.29
    2-octanol 1.57
    2-hexanone 8.71
    octyl acetate 2.58
    limonene 2.01
    1,2-dimethoxyethane 16.5
    ethyl orthosilicate 3.63
    tributyl phosphate 2.64
    diacetone alcohol 5.63
    N,N-dimethylaniline 2.73
    acrylonitrile 4.65
    aniline 9.08
    1,3-propanediol 3.54
    bromobenzene 14.86
    dibromomethane 37.46
    1,1,2,2-tetrachloroethane 62.81
    2-methyl-cyclohexyl acetate 6.33
    tetrabutyl urea 4.01
    diisobutyl methanol 1.11
    2-phenylethanol 5.9
    styrene 2.27
    dioctyl adipate 3.69
    dimethyl sulfate 13.4
    ethyl butyrate 5.38
    methyl lactate 3.73
    butyl lactate 6.12
    diethyl carbonate 3.71
    propanediol butyl ether 3.72
    triethyl orthoformate 5.16
    p-tert-butyltoluene 1.29
    methyl 4-tert-butylbenzoate 7.9
    morpholine 19.99
    tert-butylamine 0.84
    n-dodecanol 0.76
    dimethoxymethane 13.77
    ethylene carbonate 14.05
    cyrene 10.54
    2-ethoxyethyl acetate 15.14
    2-ethylhexyl acetate 6.82
    1,2,4-trichlorobenzene 18.07
    4-methylpyridine 18.48
    dibutyl ether 2.35
    2,6-dimethyl-4-heptanol 1.11
    DEF 10.26
    dimethyl isosorbide 17.07
    tetrachloroethylene 53.5
    eugenol 7.65
    triacetin 6.81
    span 80 5.05
    1,4-butanediol 1.76
    1,1-dichloroethane 17.78
    2-methyl-1-pentanol 4.2
    methyl formate 9.67
    2-methyl-1-butanol 3.92
    n-decane 0.22
    butyronitrile 3.45
    3,7-dimethyl-1-octanol 1.43
    1-chlorooctane 1.35
    1-chlorotetradecane 0.39
    n-nonane 0.18
    undecane 0.14
    tert-butylcyclohexane 0.22
    cyclooctane 0.18
    cyclopentanol 7.77
    tetrahydropyran 15.28
    tert-amyl methyl ether 2.4
    2,5,8-trioxanonane 11.19
    1-hexene 1.56
    2-isopropoxyethanol 6.17
    2,2,2-trifluoroethanol 7.84
    methyl butyrate 7.0

    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