(3-(Dodecyloxy)-2-hydroxypropyl)bis(2-hydroxyethyl)methylammonium chloride

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  • Identifiers

    CAS number
    6200-40-4

    Molecular formula
    C20H44ClNO4

    SMILES
    CCCCCCCCCCCCOCC(C[N+](C)(CCO)CCO)O.[Cl-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Oily 39.32%
    Fresh 38.72%
    Sweet 35.62%
    Waxy 34.05%
    Fruity 31.75%
    Odorless 31.06%
    Floral 30.79%
    Citrus 27.12%
    Fatty 25.88%
    Clean 25.31%

     

    Flavor
    Mild 36.62%
    Waxy 30.04%
    Fatty 29.19%
    Odorless 28.65%
    Bland 26.61%
    Green 26.26%
    Floral 25.55%
    Earthy 23.15%
    Oily 22.85%
    Yeasty 21.81%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.51 (weak acid)

    Molecular weight
    398.0 g/mol

    Flash point

    • -25.49 ˚C est.

  • Synonyms

    • EINECS 228-253-4
    • (3-(Dodecyloxy)-2-hydroxypropyl)bis(2-hydroxyethyl)methylammonium chloride
    • [3-(Dodecyloxy)-2-hydroxypropyl]bis(2-hydroxyethyl)methylammonium chloride
    • RefChem:399666
    • 228-253-4
    • 6200-40-4
    • DTXSID00977541
    • ONBIVJYAPNYEDQ-UHFFFAOYSA-M
    • NS00043640
    • Bis(2-hydroxyethyl)-2-hydroxypropyl-3-(dodecyloxy)methylammonium chloride
    • 3-(Dodecyloxy)-2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methylpropan-1-aminium chloride
    • 6200-40-4

  • Applications

    The compound, (3-(Dodecyloxy)-2-hydroxypropyl)bis(2-hydroxyethyl)methylammonium chloride (CAS 6200-40-4), is a quaternary ammonium salt bearing a dodecyloxy group and two hydroxyethyl groups, functioning as a cationic surfactant. Its real-world applications span cosmetics/personal care (surfactant, conditioning and emulsification aid); household cleaning products (surfactant and emulsifier); polymers/plastics and coatings (emulsifier and dispersion/stabilizer in polymer formulations and coatings); inks and adhesives (wetting and dispersion additive); agriculture (surfactant adjuvant in agrochemical formulations); and electronics/commercial cleaning (surfactant in cleaning formulations and process aids). Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 88.8
    methanol 368.54
    isopropanol 22.55
    water 40.38
    ethyl acetate 28.64
    n-propanol 59.56
    acetone 27.72
    n-butanol 37.65
    acetonitrile 12.86
    DMF 124.52
    toluene 9.35
    isobutanol 35.69
    1,4-dioxane 57.95
    methyl acetate 24.0
    THF 86.73
    2-butanone 23.31
    n-pentanol 24.22
    sec-butanol 25.41
    n-hexane 1.31
    ethylene glycol 78.89
    NMP 313.2
    cyclohexane 7.7
    DMSO 355.22
    n-butyl acetate 27.14
    n-octanol 19.24
    chloroform 80.54
    n-propyl acetate 30.68
    acetic acid 395.16
    dichloromethane 87.74
    cyclohexanone 108.95
    propylene glycol 69.78
    isopropyl acetate 23.65
    DMAc 157.84
    2-ethoxyethanol 110.07
    isopentanol 26.94
    n-heptane 2.6
    ethyl formate 47.08
    1,2-dichloroethane 50.21
    n-hexanol 22.65
    2-methoxyethanol 201.75
    isobutyl acetate 21.7
    tetrachloromethane 21.29
    n-pentyl acetate 38.22
    transcutol 260.06
    n-heptanol 29.18
    ethylbenzene 5.67
    MIBK 18.52
    2-propoxyethanol 88.59
    tert-butanol 26.49
    MTBE 10.79
    2-butoxyethanol 95.47
    propionic acid 124.35
    o-xylene 12.4
    formic acid 488.82
    diethyl ether 9.03
    m-xylene 10.44
    p-xylene 8.06
    chlorobenzene 17.37
    dimethyl carbonate 26.54
    n-octane 1.4
    formamide 372.95
    cyclopentanone 118.59
    2-pentanone 21.75
    anisole 12.2
    cyclopentyl methyl ether 48.38
    gamma-butyrolactone 193.14
    1-methoxy-2-propanol 97.09
    pyridine 46.81
    3-pentanone 21.34
    furfural 182.18
    n-dodecane 0.84
    diethylene glycol 113.86
    diisopropyl ether 4.63
    tert-amyl alcohol 30.19
    acetylacetone 47.81
    n-hexadecane 0.95
    acetophenone 31.82
    methyl propionate 37.18
    isopentyl acetate 26.61
    trichloroethylene 114.88
    n-nonanol 18.83
    cyclohexanol 67.21
    benzyl alcohol 31.89
    2-ethylhexanol 16.82
    isooctanol 24.58
    dipropyl ether 13.78
    1,2-dichlorobenzene 26.06
    ethyl lactate 46.57
    propylene carbonate 108.19
    n-methylformamide 137.35
    2-pentanol 16.02
    n-pentane 1.47
    1-propoxy-2-propanol 60.31
    1-methoxy-2-propyl acetate 50.68
    2-(2-methoxypropoxy) propanol 55.83
    mesitylene 8.1
    ε-caprolactone 137.41
    p-cymene 9.12
    epichlorohydrin 117.06
    1,1,1-trichloroethane 32.99
    2-aminoethanol 134.01
    morpholine-4-carbaldehyde 202.73
    sulfolane 405.08
    2,2,4-trimethylpentane 1.98
    2-methyltetrahydrofuran 51.43
    n-hexyl acetate 34.37
    isooctane 0.94
    2-(2-butoxyethoxy)ethanol 89.4
    sec-butyl acetate 19.66
    tert-butyl acetate 29.58
    decalin 2.77
    glycerin 175.96
    diglyme 164.54
    acrylic acid 142.98
    isopropyl myristate 9.86
    n-butyric acid 136.18
    acetyl acetate 37.38
    di(2-ethylhexyl) phthalate 23.1
    ethyl propionate 24.55
    nitromethane 249.2
    1,2-diethoxyethane 28.3
    benzonitrile 24.87
    trioctyl phosphate 18.63
    1-bromopropane 13.92
    gamma-valerolactone 237.2
    n-decanol 11.66
    triethyl phosphate 27.59
    4-methyl-2-pentanol 11.58
    propionitrile 13.79
    vinylene carbonate 105.42
    1,1,2-trichlorotrifluoroethane 282.93
    DMS 36.58
    cumene 6.04
    2-octanol 14.1
    2-hexanone 17.72
    octyl acetate 16.54
    limonene 13.68
    1,2-dimethoxyethane 68.98
    ethyl orthosilicate 25.72
    tributyl phosphate 20.75
    diacetone alcohol 57.42
    N,N-dimethylaniline 15.33
    acrylonitrile 25.71
    aniline 26.48
    1,3-propanediol 134.65
    bromobenzene 14.53
    dibromomethane 42.59
    1,1,2,2-tetrachloroethane 100.04
    2-methyl-cyclohexyl acetate 33.4
    tetrabutyl urea 25.59
    diisobutyl methanol 9.61
    2-phenylethanol 29.28
    styrene 5.45
    dioctyl adipate 26.42
    dimethyl sulfate 80.23
    ethyl butyrate 27.58
    methyl lactate 65.12
    butyl lactate 62.25
    diethyl carbonate 21.05
    propanediol butyl ether 85.93
    triethyl orthoformate 31.13
    p-tert-butyltoluene 8.96
    methyl 4-tert-butylbenzoate 56.88
    morpholine 100.47
    tert-butylamine 11.67
    n-dodecanol 7.59
    dimethoxymethane 54.64
    ethylene carbonate 88.73
    cyrene 95.54
    2-ethoxyethyl acetate 56.29
    2-ethylhexyl acetate 23.21
    1,2,4-trichlorobenzene 38.24
    4-methylpyridine 30.74
    dibutyl ether 10.65
    2,6-dimethyl-4-heptanol 9.61
    DEF 61.4
    dimethyl isosorbide 97.85
    tetrachloroethylene 101.59
    eugenol 59.64
    triacetin 76.82
    span 80 60.15
    1,4-butanediol 52.38
    1,1-dichloroethane 23.18
    2-methyl-1-pentanol 21.55
    methyl formate 91.29
    2-methyl-1-butanol 33.91
    n-decane 1.69
    butyronitrile 13.02
    3,7-dimethyl-1-octanol 15.27
    1-chlorooctane 7.96
    1-chlorotetradecane 2.51
    n-nonane 1.59
    undecane 1.12
    tert-butylcyclohexane 1.94
    cyclooctane 2.73
    cyclopentanol 71.84
    tetrahydropyran 45.14
    tert-amyl methyl ether 15.21
    2,5,8-trioxanonane 101.96
    1-hexene 3.3
    2-isopropoxyethanol 56.7
    2,2,2-trifluoroethanol 232.5
    methyl butyrate 37.99

    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