Bis[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)-octadecylazanium;chloride

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  • Identifiers

    CAS number
    80462-94-8

    Molecular formula
    C28H60ClNO5

    SMILES
    CCCCCCCCCCCCCCCCCC[N+](CCO)(CCOCCO)CCOCCO.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Waxy 52.01%
    Oily 35.89%
    Odorless 35.16%
    Fatty 32.39%
    Fresh 28.69%
    Sweet 26.85%
    Alcoholic 24.71%
    Clean 23.62%
    Woody 22.34%
    Amber 21.76%

     

    Flavor
    Waxy 41.22%
    Mild 37.5%
    Fatty 35.16%
    Bland 31.17%
    Odorless 27.82%
    Oily 24.69%
    Faint 23.38%
    Slightly waxy 22.86%
    Floral 22.61%
    Delicate 22.11%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.06 (weak acid)

    Molecular weight
    526.2 g/mol

    Flash point

    • 115.0 ˚C est.

  • Synonyms

    • 80462-94-8
    • bis[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)-octadecylazanium;chloride
    • DTXSID101001258
    • NS00120824
    • 1-Octadecanaminium, N,N-bis(2-(2-hydroxyethoxy)ethyl)-N-(2-hydroxyethyl)-,chloride
    • N,N-bis[2-(2-hydroxyethoxy)ethyl]-N-(2-hydroxyethyl)octadecan-1-aminium chloride
    • 80462-94-8

  • Applications

    Bis[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)-octadecylazanium;chloride (CAS number: 80462-94-8) is a quaternary ammonium salt with polyol-containing hydroxy groups, commonly used as a cationic surfactant and conditioning agent in cosmetics and personal care, where its long C18 tail provides detergency and conditioning and its polyether segments aid emulsification and dispersion. It also serves in household products as a surfactant and fabric conditioner; in industrial manufacturing it can act as an emulsifier and dispersant in polymer and coating formulations and as an antistatic additive for plastics; and in coatings, inks, and adhesives as a surfactant and leveling agent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.35
    methanol 14.81
    isopropanol 4.52
    water 1.49
    ethyl acetate 27.67
    n-propanol 9.47
    acetone 19.77
    n-butanol 8.41
    acetonitrile 7.06
    DMF 55.94
    toluene 11.93
    isobutanol 8.28
    1,4-dioxane 37.17
    methyl acetate 22.19
    THF 79.42
    2-butanone 26.29
    n-pentanol 8.51
    sec-butanol 8.96
    n-hexane 2.34
    ethylene glycol 3.79
    NMP 212.99
    cyclohexane 11.09
    DMSO 111.93
    n-butyl acetate 29.07
    n-octanol 14.62
    chloroform 91.84
    n-propyl acetate 29.77
    acetic acid 52.42
    dichloromethane 93.26
    cyclohexanone 89.75
    propylene glycol 6.03
    isopropyl acetate 25.16
    DMAc 125.09
    2-ethoxyethanol 30.76
    isopentanol 9.48
    n-heptane 4.48
    ethyl formate 21.82
    1,2-dichloroethane 56.86
    n-hexanol 8.59
    2-methoxyethanol 31.94
    isobutyl acetate 21.12
    tetrachloromethane 30.01
    n-pentyl acetate 55.75
    transcutol 135.52
    n-heptanol 15.76
    ethylbenzene 8.63
    MIBK 19.59
    2-propoxyethanol 28.34
    tert-butanol 8.07
    MTBE 13.22
    2-butoxyethanol 49.87
    propionic acid 30.56
    o-xylene 15.64
    formic acid 28.4
    diethyl ether 10.92
    m-xylene 11.74
    p-xylene 11.0
    chlorobenzene 21.29
    dimethyl carbonate 23.04
    n-octane 2.48
    formamide 37.62
    cyclopentanone 99.38
    2-pentanone 23.58
    anisole 17.31
    cyclopentyl methyl ether 56.57
    gamma-butyrolactone 125.99
    1-methoxy-2-propanol 28.56
    pyridine 38.14
    3-pentanone 28.31
    furfural 102.67
    n-dodecane 1.28
    diethylene glycol 18.21
    diisopropyl ether 7.32
    tert-amyl alcohol 14.18
    acetylacetone 44.67
    n-hexadecane 1.47
    acetophenone 34.08
    methyl propionate 32.1
    isopentyl acetate 30.77
    trichloroethylene 111.57
    n-nonanol 15.36
    cyclohexanol 26.73
    benzyl alcohol 17.58
    2-ethylhexanol 11.8
    isooctanol 16.22
    dipropyl ether 19.55
    1,2-dichlorobenzene 31.84
    ethyl lactate 27.65
    propylene carbonate 78.06
    n-methylformamide 29.39
    2-pentanol 7.57
    n-pentane 2.03
    1-propoxy-2-propanol 31.85
    1-methoxy-2-propyl acetate 44.98
    2-(2-methoxypropoxy) propanol 41.05
    mesitylene 9.87
    ε-caprolactone 106.32
    p-cymene 10.69
    epichlorohydrin 91.18
    1,1,1-trichloroethane 53.91
    2-aminoethanol 9.33
    morpholine-4-carbaldehyde 109.2
    sulfolane 288.57
    2,2,4-trimethylpentane 3.36
    2-methyltetrahydrofuran 55.34
    n-hexyl acetate 46.24
    isooctane 1.35
    2-(2-butoxyethoxy)ethanol 51.5
    sec-butyl acetate 24.69
    tert-butyl acetate 37.59
    decalin 5.13
    glycerin 15.94
    diglyme 120.44
    acrylic acid 30.91
    isopropyl myristate 14.04
    n-butyric acid 44.49
    acetyl acetate 32.89
    di(2-ethylhexyl) phthalate 18.75
    ethyl propionate 28.3
    nitromethane 74.1
    1,2-diethoxyethane 38.0
    benzonitrile 17.51
    trioctyl phosphate 14.66
    1-bromopropane 20.61
    gamma-valerolactone 153.38
    n-decanol 9.29
    triethyl phosphate 35.87
    4-methyl-2-pentanol 6.63
    propionitrile 8.17
    vinylene carbonate 69.86
    1,1,2-trichlorotrifluoroethane 133.13
    DMS 35.29
    cumene 8.01
    2-octanol 12.09
    2-hexanone 22.06
    octyl acetate 20.61
    limonene 18.07
    1,2-dimethoxyethane 47.41
    ethyl orthosilicate 34.93
    tributyl phosphate 18.84
    diacetone alcohol 41.0
    N,N-dimethylaniline 19.4
    acrylonitrile 12.02
    aniline 18.04
    1,3-propanediol 11.61
    bromobenzene 22.66
    dibromomethane 51.65
    1,1,2,2-tetrachloroethane 115.93
    2-methyl-cyclohexyl acetate 37.48
    tetrabutyl urea 27.35
    diisobutyl methanol 8.58
    2-phenylethanol 15.97
    styrene 8.65
    dioctyl adipate 30.78
    dimethyl sulfate 77.57
    ethyl butyrate 36.3
    methyl lactate 29.87
    butyl lactate 51.44
    diethyl carbonate 25.25
    propanediol butyl ether 36.89
    triethyl orthoformate 43.29
    p-tert-butyltoluene 10.81
    methyl 4-tert-butylbenzoate 57.19
    morpholine 52.35
    tert-butylamine 5.68
    n-dodecanol 6.19
    dimethoxymethane 32.22
    ethylene carbonate 60.73
    cyrene 60.78
    2-ethoxyethyl acetate 70.18
    2-ethylhexyl acetate 28.99
    1,2,4-trichlorobenzene 45.54
    4-methylpyridine 28.7
    dibutyl ether 19.2
    2,6-dimethyl-4-heptanol 8.58
    DEF 53.42
    dimethyl isosorbide 89.79
    tetrachloroethylene 90.25
    eugenol 45.51
    triacetin 80.51
    span 80 37.75
    1,4-butanediol 6.5
    1,1-dichloroethane 31.89
    2-methyl-1-pentanol 11.04
    methyl formate 25.15
    2-methyl-1-butanol 11.97
    n-decane 3.01
    butyronitrile 8.24
    3,7-dimethyl-1-octanol 13.05
    1-chlorooctane 13.11
    1-chlorotetradecane 3.77
    n-nonane 2.89
    undecane 1.81
    tert-butylcyclohexane 3.41
    cyclooctane 4.71
    cyclopentanol 27.14
    tetrahydropyran 43.42
    tert-amyl methyl ether 20.88
    2,5,8-trioxanonane 69.93
    1-hexene 5.14
    2-isopropoxyethanol 23.42
    2,2,2-trifluoroethanol 45.81
    methyl butyrate 37.96

    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