Dibehenoylethyl dimonium chloride

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  • Identifiers

    CAS number
    342904-62-5

    Molecular formula
    C50H100ClNO4

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCCCCCCCC.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Waxy 76.41%
    Fatty 60.96%
    Oily 48.45%
    Odorless 35.51%
    Creamy 22.99%
    Sweet 22.15%
    Balsamic 17.14%
    Dairy 16.59%
    Clean 16.52%
    Milky 15.86%

     

    Flavor
    Waxy 48.66%
    Mild 42.17%
    Bland 38.65%
    Fatty 37.41%
    Oily 36.35%
    Faint 31.82%
    Fat 25.22%
    Odorless 24.64%
    Slightly waxy 24.5%
    Beer 22.52%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    9.17 (weak base)

    Molecular weight
    814.8 g/mol

    Flash point

    • 143.1 ˚C est.

  • Synonyms

    • Genamin beq 50
    • Dibehenoylethyl dimonium chloride
    • UNII-P6U65X2627
    • P6U65X2627
    • Ethanaminium, N,N-dimethyl-2-((1-oxodocosyl)oxy)-N-(2-((1-oxodocosyl)oxy)ethyl)-, chloride
    • Ethanaminium, N,N-dimethyl-2-((1-oxodocosyl)oxy)-N-(2-((1-oxodocosyl)oxy)ethyl)-, chloride (1:1)
    • DTXSID50187850
    • Ethanaminium, N,N-dimethyl-2-[(1-oxodocosyl)oxy]-N-[2-[(1-oxodocosyl)oxy]ethyl]-, chloride (1:1)
    • RefChem:132781
    • DTXCID10110341
    • DIBEHENOYLETHYL DIMONIUM CHLORIDE [INCI]
    • 608-963-4
    • 342904-62-5
    • SCHEMBL29941910
    • Q27286292
    • 2-(Docosanoyloxy)-N-[2-(docosanoyloxy)ethyl]-N,N-dimethylethan-1-aminium chloride
    • 342904-62-5

  • Applications

    Dibehenoylethyl dimonium chloride is a long-chain quaternary ammonium salt that is typically used as a cationic surfactant and conditioning agent in cosmetic and personal care formulations. In practice it is employed to condition and soften hair care products; to condition fabrics in laundry and textile care; as a surfactant and emulsifier in household cleaners and similar formulations; as a surface-modifying and antistatic additive in polymers, plastics, coatings and laminates; and as a functional additive for adhesives, coatings and inks to improve compatibility and film formation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.66
    methanol 11.97
    isopropanol 7.56
    water 0.41
    ethyl acetate 87.7
    n-propanol 13.69
    acetone 54.51
    n-butanol 12.73
    acetonitrile 20.43
    DMF 78.49
    toluene 50.19
    isobutanol 12.56
    1,4-dioxane 86.14
    methyl acetate 57.51
    THF 205.67
    2-butanone 75.09
    n-pentanol 14.61
    sec-butanol 15.58
    n-hexane 7.65
    ethylene glycol 1.89
    NMP 422.47
    cyclohexane 27.68
    DMSO 87.07
    n-butyl acetate 67.7
    n-octanol 23.41
    chloroform 393.16
    n-propyl acetate 83.02
    acetic acid 64.71
    dichloromethane 363.42
    cyclohexanone 246.61
    propylene glycol 4.35
    isopropyl acetate 74.63
    DMAc 246.31
    2-ethoxyethanol 39.44
    isopentanol 14.05
    n-heptane 7.73
    ethyl formate 44.76
    1,2-dichloroethane 171.08
    n-hexanol 12.05
    2-methoxyethanol 35.21
    isobutyl acetate 53.58
    tetrachloromethane 88.28
    n-pentyl acetate 145.11
    transcutol 214.79
    n-heptanol 21.26
    ethylbenzene 34.28
    MIBK 48.22
    2-propoxyethanol 38.59
    tert-butanol 13.11
    MTBE 33.97
    2-butoxyethanol 68.59
    propionic acid 43.04
    o-xylene 49.0
    formic acid 20.13
    diethyl ether 30.24
    m-xylene 37.49
    p-xylene 50.22
    chlorobenzene 96.9
    dimethyl carbonate 47.53
    n-octane 4.92
    formamide 33.37
    cyclopentanone 255.66
    2-pentanone 63.99
    anisole 55.36
    cyclopentyl methyl ether 129.52
    gamma-butyrolactone 322.83
    1-methoxy-2-propanol 36.36
    pyridine 129.14
    3-pentanone 78.36
    furfural 244.49
    n-dodecane 2.56
    diethylene glycol 15.47
    diisopropyl ether 18.2
    tert-amyl alcohol 24.93
    acetylacetone 117.92
    n-hexadecane 3.07
    acetophenone 101.77
    methyl propionate 77.39
    isopentyl acetate 67.04
    trichloroethylene 401.9
    n-nonanol 26.18
    cyclohexanol 43.42
    benzyl alcohol 35.16
    2-ethylhexanol 18.63
    isooctanol 23.61
    dipropyl ether 41.19
    1,2-dichlorobenzene 135.52
    ethyl lactate 41.39
    propylene carbonate 182.93
    n-methylformamide 39.04
    2-pentanol 12.43
    n-pentane 5.09
    1-propoxy-2-propanol 44.73
    1-methoxy-2-propyl acetate 87.73
    2-(2-methoxypropoxy) propanol 66.14
    mesitylene 28.34
    ε-caprolactone 269.26
    p-cymene 25.53
    epichlorohydrin 256.82
    1,1,1-trichloroethane 232.33
    2-aminoethanol 6.81
    morpholine-4-carbaldehyde 204.14
    sulfolane 506.64
    2,2,4-trimethylpentane 7.19
    2-methyltetrahydrofuran 152.03
    n-hexyl acetate 117.38
    isooctane 2.82
    2-(2-butoxyethoxy)ethanol 79.3
    sec-butyl acetate 71.09
    tert-butyl acetate 100.71
    decalin 14.51
    glycerin 9.96
    diglyme 208.47
    acrylic acid 41.67
    isopropyl myristate 33.53
    n-butyric acid 73.15
    acetyl acetate 86.91
    di(2-ethylhexyl) phthalate 39.88
    ethyl propionate 84.5
    nitromethane 133.22
    1,2-diethoxyethane 88.49
    benzonitrile 49.24
    trioctyl phosphate 27.26
    1-bromopropane 74.07
    gamma-valerolactone 368.99
    n-decanol 15.84
    triethyl phosphate 66.14
    4-methyl-2-pentanol 10.27
    propionitrile 23.01
    vinylene carbonate 171.17
    1,1,2-trichlorotrifluoroethane 224.97
    DMS 89.11
    cumene 25.01
    2-octanol 20.85
    2-hexanone 67.88
    octyl acetate 46.98
    limonene 39.82
    1,2-dimethoxyethane 87.42
    ethyl orthosilicate 62.48
    tributyl phosphate 37.84
    diacetone alcohol 73.86
    N,N-dimethylaniline 50.06
    acrylonitrile 29.88
    aniline 44.09
    1,3-propanediol 10.06
    bromobenzene 123.4
    dibromomethane 198.39
    1,1,2,2-tetrachloroethane 372.12
    2-methyl-cyclohexyl acetate 87.08
    tetrabutyl urea 56.17
    diisobutyl methanol 13.29
    2-phenylethanol 28.95
    styrene 36.11
    dioctyl adipate 68.89
    dimethyl sulfate 127.06
    ethyl butyrate 83.21
    methyl lactate 40.46
    butyl lactate 94.87
    diethyl carbonate 54.04
    propanediol butyl ether 48.88
    triethyl orthoformate 86.36
    p-tert-butyltoluene 24.93
    methyl 4-tert-butylbenzoate 130.86
    morpholine 102.96
    tert-butylamine 10.31
    n-dodecanol 10.19
    dimethoxymethane 60.02
    ethylene carbonate 137.56
    cyrene 99.58
    2-ethoxyethyl acetate 173.96
    2-ethylhexyl acetate 66.79
    1,2,4-trichlorobenzene 183.93
    4-methylpyridine 111.14
    dibutyl ether 48.36
    2,6-dimethyl-4-heptanol 13.29
    DEF 108.11
    dimethyl isosorbide 174.71
    tetrachloroethylene 253.62
    eugenol 86.19
    triacetin 183.41
    span 80 66.48
    1,4-butanediol 6.19
    1,1-dichloroethane 133.27
    2-methyl-1-pentanol 18.93
    methyl formate 37.9
    2-methyl-1-butanol 18.3
    n-decane 6.4
    butyronitrile 22.33
    3,7-dimethyl-1-octanol 23.44
    1-chlorooctane 30.95
    1-chlorotetradecane 8.81
    n-nonane 5.94
    undecane 3.73
    tert-butylcyclohexane 9.69
    cyclooctane 10.91
    cyclopentanol 45.53
    tetrahydropyran 117.15
    tert-amyl methyl ether 49.72
    2,5,8-trioxanonane 112.94
    1-hexene 17.68
    2-isopropoxyethanol 34.56
    2,2,2-trifluoroethanol 49.46
    methyl butyrate 104.18

    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