4,5-Dihydro-2-((8Z)-heptadecenyl)-1-methyl-1-(2-((9Z)-octadecenoylamino)ethyl)-1H-imidazolium methyl sulfate

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  • Identifiers

    CAS number
    70206-24-5

    Molecular formula
    C42H81N3O5S

    SMILES
    CCCCCCCC/C=C\CCCCCCCC1=NCC[N+]1(C)CCNC(=O)CCCCCCC/C=C\CCCCCCCC.COS(=O)(=O)[O-]

    Safety labels

  • Odor profile

    Fragrance
    Waxy 49.19%
    Fatty 45.86%
    Oily 36.01%
    Meaty 35.85%
    Savory 28.82%
    Fishy 27.3%
    Odorless 24.49%
    Animal 23.12%
    Woody 23.04%
    Fresh 21.95%

     

    Flavor
    Bland 28.16%
    Faint 25.74%
    Slightly waxy 20.58%
    Delicate 20.3%
    Mild 19.96%
    Diterpene 19.54%
    Waxy 19.29%
    Low 19.08%
    Oriental 18.93%
    Bay oil 18.69%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    4.41 (weak acid)

    Molecular weight
    740.2 g/mol

    Flash point

    • 179.31 ˚C est.

  • Synonyms

    • 70206-24-5
    • V011H4CFOX
    • QUATERNIUM 72
    • EINECS 274-381-9
    • 4,5-Dihydro-2-((8Z)-heptadecenyl)-1-methyl-1-(2-((9Z)-octadecenoylamino)ethyl)-1H-imidazolium methyl sulfate
    • MACKERNIUM DC 183
    • 2-(8-Heptadecenyl)-4,5-dihydro-1-methyl-1-(2-((1-oxo-oleyl)amino)ethyl)-1H-imidazolium methyl sulfate
    • (Z,Z)-2-(8-Heptadecenyl)-4,5-dihydro-1-methyl-1-(2-((1-oxo-9-octadecenyl)amino)ethyl)-1H-imidazolium methyl sulphate
    • 1H-Imidazolium, 2-(8-heptadecenyl)-4,5-dihydro-1-methyl-1-(2-((1-oxo-9-octadecenyl)amino)ethyl)-, (Z,Z)-, methyl sulfate
    • (Z,Z)-2-(8-heptadecenyl)-4,5-dihydro-1-methyl-1-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-1H-imidazolium methyl sulphate
    • 1H-IMIDAZOLIUM, 2-(8Z)-8-HEPTADECEN-1-YL-4,5-DIHYDRO-1-METHYL-1-(2-(((9Z)-1-OXO-9-OCTADECEN-1-YL)AMINO)ETHYL)-, METHYL SULFATE (1:1)
    • 1H-Imidazolium, 2-(8Z)-8-heptadecenyl-4,5-dihydro-1-methyl-1-(2-(((9Z)-1-oxo-9-octadecenyl)amino)ethyl)-, methyl sulfate
    • 2-(8-HEPTADECENYL)-4,5-DIHYDRO-1-METHYL-1-(2-((1-OXO-9-OCTADECENYL)AMINO)ETHYL)-1H-IMIDAZOLIUM METHYL SULFATE, (Z,Z)-
    • 1H-Imidazolium, 2-(8Z)-8-heptadecen-1-yl-4,5-dihydro-1-methyl-1-[2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]ethyl]-, methyl sulfate (1:1)
    • RefChem:507734
    • UNII-V011H4CFOX
    • SCHEMBL7926362
    • DTXSID7052448
    • NS00061984
    • Q27291356
    • 2-[(8Z)-Heptadec-8-en-1-yl]-1-methyl-1-{2-[(9Z)-octadec-9-enamido]ethyl}-4,5-dihydro-1H-imidazol-1-ium methyl sulfate
    • 2-[(8Z)-Heptadec-8-en-1-yl]-1-methyl-1-{2-[(9Z)-octadec-9-enoylamino]ethyl}-4,5-dihydro-1H-imidazol-1-ium methyl sulfate
    • 70206-24-5

  • Applications

    4,5-Dihydro-2-((8Z)-heptadecenyl)-1-methyl-1-(2-((9Z)-octadecenoylamino)ethyl)-1H-imidazolium methyl sulfate (CAS 70206-24-5) is a bulky long-chain imidazolium salt that is commonly evaluated as a surface-active additive. In real-world formulations it can function as a surfactant and emulsifier in cosmetics and personal care products, as well as a wetting and dispersion agent in coatings and inks; it also serves as a stabilizer or compatibilizer in polymer dispersions and can act as an intermediate or solvent in ionic-liquid–mediated synthesis in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.97
    methanol 18.98
    isopropanol 20.65
    water 0.26
    ethyl acetate 231.46
    n-propanol 40.31
    acetone 95.11
    n-butanol 50.94
    acetonitrile 29.9
    DMF 137.11
    toluene 156.41
    isobutanol 42.27
    1,4-dioxane 192.97
    methyl acetate 135.79
    THF 397.95
    2-butanone 188.76
    n-pentanol 50.48
    sec-butanol 51.15
    n-hexane 31.83
    ethylene glycol 2.65
    NMP 556.14
    cyclohexane 96.2
    DMSO 121.64
    n-butyl acetate 179.29
    n-octanol 57.87
    chloroform 931.77
    n-propyl acetate 193.39
    acetic acid 96.43
    dichloromethane 860.49
    cyclohexanone 517.06
    propylene glycol 7.3
    isopropyl acetate 200.79
    DMAc 442.68
    2-ethoxyethanol 84.19
    isopentanol 57.89
    n-heptane 27.28
    ethyl formate 93.23
    1,2-dichloroethane 420.9
    n-hexanol 47.24
    2-methoxyethanol 68.43
    isobutyl acetate 136.24
    tetrachloromethane 233.88
    n-pentyl acetate 288.71
    transcutol 354.7
    n-heptanol 65.3
    ethylbenzene 85.6
    MIBK 145.21
    2-propoxyethanol 102.28
    tert-butanol 33.96
    MTBE 107.75
    2-butoxyethanol 152.23
    propionic acid 85.83
    o-xylene 122.78
    formic acid 26.51
    diethyl ether 124.78
    m-xylene 102.66
    p-xylene 109.06
    chlorobenzene 247.06
    dimethyl carbonate 100.54
    n-octane 13.6
    formamide 36.37
    cyclopentanone 451.88
    2-pentanone 199.67
    anisole 132.14
    cyclopentyl methyl ether 324.4
    gamma-butyrolactone 524.33
    1-methoxy-2-propanol 80.36
    pyridine 269.01
    3-pentanone 225.62
    furfural 353.14
    n-dodecane 7.13
    diethylene glycol 31.46
    diisopropyl ether 64.94
    tert-amyl alcohol 73.16
    acetylacetone 240.99
    n-hexadecane 8.67
    acetophenone 187.7
    methyl propionate 198.54
    isopentyl acetate 184.38
    trichloroethylene 847.19
    n-nonanol 66.16
    cyclohexanol 129.97
    benzyl alcohol 83.88
    2-ethylhexanol 63.7
    isooctanol 69.21
    dipropyl ether 124.31
    1,2-dichlorobenzene 296.42
    ethyl lactate 83.78
    propylene carbonate 346.89
    n-methylformamide 61.96
    2-pentanol 51.38
    n-pentane 26.67
    1-propoxy-2-propanol 110.85
    1-methoxy-2-propyl acetate 214.05
    2-(2-methoxypropoxy) propanol 130.15
    mesitylene 71.44
    ε-caprolactone 549.91
    p-cymene 61.57
    epichlorohydrin 495.35
    1,1,1-trichloroethane 564.63
    2-aminoethanol 11.4
    morpholine-4-carbaldehyde 306.69
    sulfolane 683.05
    2,2,4-trimethylpentane 26.04
    2-methyltetrahydrofuran 375.51
    n-hexyl acetate 245.33
    isooctane 10.37
    2-(2-butoxyethoxy)ethanol 156.28
    sec-butyl acetate 180.67
    tert-butyl acetate 212.61
    decalin 37.54
    glycerin 15.17
    diglyme 383.49
    acrylic acid 73.19
    isopropyl myristate 77.77
    n-butyric acid 182.65
    acetyl acetate 185.98
    di(2-ethylhexyl) phthalate 83.78
    ethyl propionate 198.73
    nitromethane 168.26
    1,2-diethoxyethane 196.01
    benzonitrile 107.04
    trioctyl phosphate 58.59
    1-bromopropane 273.87
    gamma-valerolactone 566.66
    n-decanol 40.72
    triethyl phosphate 135.68
    4-methyl-2-pentanol 40.91
    propionitrile 54.01
    vinylene carbonate 290.06
    1,1,2-trichlorotrifluoroethane 408.32
    DMS 167.82
    cumene 60.18
    2-octanol 54.87
    2-hexanone 166.85
    octyl acetate 102.05
    limonene 102.71
    1,2-dimethoxyethane 174.85
    ethyl orthosilicate 141.39
    tributyl phosphate 77.46
    diacetone alcohol 144.11
    N,N-dimethylaniline 110.66
    acrylonitrile 55.18
    aniline 121.06
    1,3-propanediol 24.46
    bromobenzene 317.35
    dibromomethane 536.36
    1,1,2,2-tetrachloroethane 802.9
    2-methyl-cyclohexyl acetate 180.97
    tetrabutyl urea 108.57
    diisobutyl methanol 41.88
    2-phenylethanol 77.54
    styrene 101.12
    dioctyl adipate 126.08
    dimethyl sulfate 227.75
    ethyl butyrate 204.07
    methyl lactate 80.15
    butyl lactate 167.47
    diethyl carbonate 126.11
    propanediol butyl ether 83.44
    triethyl orthoformate 186.28
    p-tert-butyltoluene 55.1
    methyl 4-tert-butylbenzoate 214.4
    morpholine 224.36
    tert-butylamine 29.39
    n-dodecanol 27.29
    dimethoxymethane 126.62
    ethylene carbonate 272.86
    cyrene 168.57
    2-ethoxyethyl acetate 321.42
    2-ethylhexyl acetate 183.85
    1,2,4-trichlorobenzene 390.15
    4-methylpyridine 263.58
    dibutyl ether 126.99
    2,6-dimethyl-4-heptanol 41.88
    DEF 281.49
    dimethyl isosorbide 285.2
    tetrachloroethylene 527.68
    eugenol 156.04
    triacetin 291.69
    span 80 124.73
    1,4-butanediol 13.67
    1,1-dichloroethane 375.82
    2-methyl-1-pentanol 70.49
    methyl formate 55.61
    2-methyl-1-butanol 72.51
    n-decane 18.23
    butyronitrile 67.54
    3,7-dimethyl-1-octanol 59.63
    1-chlorooctane 76.53
    1-chlorotetradecane 22.89
    n-nonane 16.79
    undecane 10.59
    tert-butylcyclohexane 25.2
    cyclooctane 35.28
    cyclopentanol 103.44
    tetrahydropyran 316.16
    tert-amyl methyl ether 151.39
    2,5,8-trioxanonane 204.99
    1-hexene 70.29
    2-isopropoxyethanol 82.34
    2,2,2-trifluoroethanol 76.23
    methyl butyrate 237.49

    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