2-Hydroxy-N-(2-((2-hydroxypropyl)(2-(oleoyloxy)propyl)amino)ethyl)-N-methyl-N-(2-(oleoyloxy)propyl)propan-1-aminium methyl sulfate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    111030-96-7

    Molecular formula
    C52H102N2O10S

    SMILES
    CCCCCCCC/C=C\CCCCCCCC(=O)OC(C)CN(CC[N+](C)(CC(C)O)CC(C)OC(=O)CCCCCCC/C=C\CCCCCCCC)CC(C)O.COS(=O)(=O)[O-]

    Safety labels

  • Odor profile

    Fragrance
    Waxy 43.75%
    Fatty 39.31%
    Oily 39.27%
    Odorless 29.59%
    Woody 28.29%
    Fresh 27.7%
    Floral 25.7%
    Sweet 24.79%
    Fruity 23.82%
    Milky 23.65%

     

    Flavor
    Bland 34.55%
    Mild 31.72%
    Faint 25.74%
    Odorless 24.73%
    Waxy 22.43%
    Slightly waxy 21.65%
    Delicate 21.32%
    Bay oil 20.4%
    Beer 19.85%
    Sandalwood 19.68%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.66 (neutral)

    Molecular weight
    947.4 g/mol

    Flash point

    • 74.61 ˚C est.

  • Synonyms

    • UNII-AKH18GGW2E
    • AKH18GGW2E
    • dioleoyl edetolmonium methosulfate
    • 2-Hydroxy-N-(2-((2-hydroxypropyl)(2-(oleoyloxy)propyl)amino)ethyl)-N-methyl-N-(2-(oleoyloxy)propyl)propan-1-aminium methyl sulfate
    • RefChem:197796
    • DIOLEOYL EDETOLMONIUM METHOSULFATE [INCI]
    • 1-Propanaminium, 2-hydroxy-N-(2-((2-hydroxypropyl)(2-((1-oxo-9-octadecen-1-yl)oxy)propyl)amino)ethyl)-N-methyl-N-(2-((1-oxo-9-octadecen-1-yl)oxy)propyl)-, methyl sulfate (1:1)
    • 111030-96-7
    • Quaternium 82
    • SCHEMBL29562405
    • DTXSID00894461
    • UBRONROYHPKBIP-PBAYCENZSA-M
    • Q27273969
    • 111030-96-7

  • Applications

    2-Hydroxy-N-(2-((2-hydroxypropyl)(2-(oleoyloxy)propyl)amino)ethyl)-N-methyl-N-(2-(oleoyloxy)propyl)propan-1-aminium methyl sulfate (CAS 111030-96-7) is a cationic surfactant and lipid-like emulsifier, functioning as a functional additive in various emulsion systems. In cosmetics and personal care, it may serve as a conditioning agent and emulsifier in creams, lotions, shampoos, and conditioners. In household products, it can act as a surfactant and dispersant for cleaning and fabric-care formulations. In polymers and coatings/inks, it may be used as a cationic emulsifier/dispersant to improve pigment dispersion and stability in polymer matrices, paints, and inks. In industrial manufacturing, it can be used as a process additive or surfactant to stabilize emulsions and adjust formulation rheology. In agriculture, it may be evaluated as an adjuvant or surfactant to enhance spreading and wetting of pesticide formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 38.68
    methanol 81.0
    isopropanol 15.77
    water 1.44
    ethyl acetate 68.62
    n-propanol 41.21
    acetone 57.17
    n-butanol 28.19
    acetonitrile 17.87
    DMF 142.94
    toluene 46.37
    isobutanol 27.67
    1,4-dioxane 68.66
    methyl acetate 57.74
    THF 152.89
    2-butanone 74.32
    n-pentanol 24.84
    sec-butanol 28.31
    n-hexane 3.86
    ethylene glycol 9.89
    NMP 652.03
    cyclohexane 6.86
    DMSO 117.26
    n-butyl acetate 44.09
    n-octanol 19.85
    chloroform 197.79
    n-propyl acetate 47.59
    acetic acid 209.5
    dichloromethane 195.26
    cyclohexanone 162.0
    propylene glycol 20.35
    isopropyl acetate 46.2
    DMAc 330.15
    2-ethoxyethanol 70.97
    isopentanol 20.72
    n-heptane 3.36
    ethyl formate 49.73
    1,2-dichloroethane 93.24
    n-hexanol 17.34
    2-methoxyethanol 91.18
    isobutyl acetate 31.74
    tetrachloromethane 35.42
    n-pentyl acetate 70.8
    transcutol 218.28
    n-heptanol 22.28
    ethylbenzene 20.99
    MIBK 35.47
    2-propoxyethanol 72.46
    tert-butanol 15.35
    MTBE 25.37
    2-butoxyethanol 75.74
    propionic acid 93.14
    o-xylene 37.62
    formic acid 114.67
    diethyl ether 27.59
    m-xylene 30.32
    p-xylene 24.04
    chlorobenzene 51.06
    dimethyl carbonate 61.59
    n-octane 1.74
    formamide 103.66
    cyclopentanone 212.09
    2-pentanone 61.93
    anisole 30.33
    cyclopentyl methyl ether 106.53
    gamma-butyrolactone 291.94
    1-methoxy-2-propanol 66.02
    pyridine 101.65
    3-pentanone 74.43
    furfural 204.78
    n-dodecane 0.95
    diethylene glycol 41.71
    diisopropyl ether 9.18
    tert-amyl alcohol 31.37
    acetylacetone 88.74
    n-hexadecane 1.07
    acetophenone 58.01
    methyl propionate 96.15
    isopentyl acetate 40.59
    trichloroethylene 254.72
    n-nonanol 20.34
    cyclohexanol 50.8
    benzyl alcohol 39.56
    2-ethylhexanol 15.16
    isooctanol 19.39
    dipropyl ether 23.91
    1,2-dichlorobenzene 59.06
    ethyl lactate 39.56
    propylene carbonate 142.18
    n-methylformamide 97.97
    2-pentanol 18.38
    n-pentane 3.56
    1-propoxy-2-propanol 53.91
    1-methoxy-2-propyl acetate 77.24
    2-(2-methoxypropoxy) propanol 66.05
    mesitylene 14.9
    ε-caprolactone 207.38
    p-cymene 13.15
    epichlorohydrin 206.3
    1,1,1-trichloroethane 80.71
    2-aminoethanol 30.54
    morpholine-4-carbaldehyde 258.9
    sulfolane 451.49
    2,2,4-trimethylpentane 3.56
    2-methyltetrahydrofuran 116.01
    n-hexyl acetate 64.2
    isooctane 1.17
    2-(2-butoxyethoxy)ethanol 76.97
    sec-butyl acetate 37.06
    tert-butyl acetate 49.61
    decalin 4.42
    glycerin 41.35
    diglyme 151.18
    acrylic acid 100.09
    isopropyl myristate 16.24
    n-butyric acid 103.02
    acetyl acetate 62.58
    di(2-ethylhexyl) phthalate 28.63
    ethyl propionate 48.65
    nitromethane 196.88
    1,2-diethoxyethane 49.24
    benzonitrile 30.01
    trioctyl phosphate 19.15
    1-bromopropane 43.16
    gamma-valerolactone 330.5
    n-decanol 11.8
    triethyl phosphate 34.65
    4-methyl-2-pentanol 10.84
    propionitrile 20.35
    vinylene carbonate 139.0
    1,1,2-trichlorotrifluoroethane 269.53
    DMS 66.24
    cumene 13.61
    2-octanol 14.18
    2-hexanone 43.94
    octyl acetate 27.57
    limonene 20.51
    1,2-dimethoxyethane 69.71
    ethyl orthosilicate 31.68
    tributyl phosphate 23.01
    diacetone alcohol 62.87
    N,N-dimethylaniline 31.46
    acrylonitrile 31.04
    aniline 51.36
    1,3-propanediol 34.7
    bromobenzene 52.69
    dibromomethane 103.8
    1,1,2,2-tetrachloroethane 194.63
    2-methyl-cyclohexyl acetate 46.44
    tetrabutyl urea 33.52
    diisobutyl methanol 7.69
    2-phenylethanol 31.32
    styrene 20.65
    dioctyl adipate 36.44
    dimethyl sulfate 149.05
    ethyl butyrate 43.45
    methyl lactate 71.17
    butyl lactate 66.36
    diethyl carbonate 27.83
    propanediol butyl ether 62.91
    triethyl orthoformate 41.95
    p-tert-butyltoluene 12.45
    methyl 4-tert-butylbenzoate 88.74
    morpholine 111.2
    tert-butylamine 8.58
    n-dodecanol 7.15
    dimethoxymethane 92.68
    ethylene carbonate 105.6
    cyrene 98.59
    2-ethoxyethyl acetate 118.28
    2-ethylhexyl acetate 38.36
    1,2,4-trichlorobenzene 85.6
    4-methylpyridine 84.5
    dibutyl ether 18.74
    2,6-dimethyl-4-heptanol 7.69
    DEF 114.12
    dimethyl isosorbide 123.38
    tetrachloroethylene 151.33
    eugenol 62.3
    triacetin 119.87
    span 80 64.4
    1,4-butanediol 17.14
    1,1-dichloroethane 64.45
    2-methyl-1-pentanol 23.13
    methyl formate 77.32
    2-methyl-1-butanol 32.27
    n-decane 2.35
    butyronitrile 17.7
    3,7-dimethyl-1-octanol 15.43
    1-chlorooctane 13.4
    1-chlorotetradecane 3.45
    n-nonane 2.15
    undecane 1.39
    tert-butylcyclohexane 3.18
    cyclooctane 3.5
    cyclopentanol 58.76
    tetrahydropyran 70.09
    tert-amyl methyl ether 40.33
    2,5,8-trioxanonane 83.51
    1-hexene 12.11
    2-isopropoxyethanol 48.27
    2,2,2-trifluoroethanol 103.57
    methyl butyrate 60.14

    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