2-[2,3-Bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium;iodide

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  • Identifiers

    Molecular formula
    C30H60IN3O3+2

    SMILES
    CC[N+](CC)(CC)CCOC1=C(C(=CC=C1)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC.[I-]

  • Odor profile

    Fragrance
    Woody 41.76%
    Fruity 30.97%
    Mint 29.5%
    Floral 27.5%
    Spicy 27.46%
    Herbal 27.39%
    Fresh 25.78%
    Sweet 23.79%
    Balsamic 23.76%
    Dry 22.83%

     

    Flavor
    Mild 28.16%
    Bland 25.22%
    Herbal 22.08%
    Green pepper 20.63%
    Carrot 20.44%
    Delicate 20.22%
    Sandalwood 20.06%
    Green 19.95%
    Leathery 19.78%
    Diterpene 19.74%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.06 (neutral)

    Molecular weight
    637.7 g/mol

    Flash point

    • 66.99 ˚C est.

  • Synonyms

    • Benzkurin
    • Flacedil
    • Flaxedil
    • Gallamin
    • Gallamine iodide
    • Gallamine triiodoethylate
    • Triiodoethylate de gallamine
    • 2-[2,3-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium;iodide
    • SMR000059225
    • MLS000069804
    • MLS001333717
    • MLS006011209
    • HMS2232K08
    • Pharmakon1600-01500312
    • NSC102690
    • NSC757041
    • NSC-757041
    • NCGC00180901-01
    • NCGC00180901-02
    • 1,3-Tris(diethylaminoethoxy)benzene triethiodide
    • 1,3-Tris(2-diethylaminoethoxy)benzene triethiodide
    • Tri(diethylaminoethoxy)-1,3-benzene triiodoethylate
    • 1,3-Tris(2-triethylammonium ethoxy)benzene triiodide
    • 1,3-Tri(.beta.-diethylaminoethoxy)benzene triethiodide
    • 1,3-Tris(2-diethylaminoethoxy)benzene tris(ethyliodide)
    • Triiodoethylate of tri(diethylaminoethyloxy)-1,3-benzene
    • Pyrogallol 1,3-(diethylaminoethyl ether) tris(ethyliodide)
    • Tri(.beta.-diethylaminoethoxy)-1,3-benzene triiodoethylate
    • WLN: 2K2&2&2O 3 B CR &I &I &I &2/18 &2/21 &2/24
    • Ethanaminium,2',2''-[1,2,3-benzenetriyltris(oxy)]tris[N,N,N-triethyl-, triiodide

  • Applications

    2-[2,3-Bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium;iodide is a two-cation quaternary ammonium iodide with phenoxy-ethoxy linkers. In practice, it is considered a cationic surfactant and emulsifier, commonly applied in coatings, inks, and polymer systems; it can function as a phase-transfer catalyst in organic synthesis; it may be used as a softening or surface-active additive for polymer formulations; it is sometimes evaluated for cosmetic/personal care formulations as a surfactant or conditioning ingredient; and it may appear in household cleaning products as an emulsifier or surfactant. Use depends on local regulations and formulation limits, with handling and safety controls appropriate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.88
    methanol 16.72
    isopropanol 24.03
    water 0.71
    ethyl acetate 372.42
    n-propanol 40.16
    acetone 160.47
    n-butanol 42.01
    acetonitrile 67.78
    DMF 190.99
    toluene 143.31
    isobutanol 37.05
    1,4-dioxane 235.74
    methyl acetate 251.16
    THF 354.75
    2-butanone 212.33
    n-pentanol 42.39
    sec-butanol 45.12
    n-hexane 38.12
    ethylene glycol 6.29
    NMP 613.02
    cyclohexane 100.67
    DMSO 267.93
    n-butyl acetate 218.9
    n-octanol 28.88
    chloroform 1281.06
    n-propyl acetate 182.18
    acetic acid 202.39
    dichloromethane 1187.45
    cyclohexanone 426.67
    propylene glycol 10.45
    isopropyl acetate 237.04
    DMAc 533.03
    2-ethoxyethanol 96.32
    isopentanol 44.92
    n-heptane 35.54
    ethyl formate 139.08
    1,2-dichloroethane 682.74
    n-hexanol 44.8
    2-methoxyethanol 89.99
    isobutyl acetate 109.51
    tetrachloromethane 365.44
    n-pentyl acetate 182.1
    transcutol 276.81
    n-heptanol 35.53
    ethylbenzene 74.62
    MIBK 113.23
    2-propoxyethanol 110.21
    tert-butanol 41.14
    MTBE 143.18
    2-butoxyethanol 94.13
    propionic acid 133.06
    o-xylene 134.58
    formic acid 46.25
    diethyl ether 176.94
    m-xylene 103.0
    p-xylene 97.75
    chlorobenzene 286.33
    dimethyl carbonate 163.92
    n-octane 13.44
    formamide 83.39
    cyclopentanone 416.55
    2-pentanone 200.88
    anisole 117.72
    cyclopentyl methyl ether 310.39
    gamma-butyrolactone 600.3
    1-methoxy-2-propanol 82.78
    pyridine 244.61
    3-pentanone 285.77
    furfural 400.82
    n-dodecane 6.75
    diethylene glycol 50.58
    diisopropyl ether 92.02
    tert-amyl alcohol 70.35
    acetylacetone 302.75
    n-hexadecane 8.01
    acetophenone 157.19
    methyl propionate 288.02
    isopentyl acetate 193.28
    trichloroethylene 1274.99
    n-nonanol 34.19
    cyclohexanol 104.7
    benzyl alcohol 66.33
    2-ethylhexanol 52.54
    isooctanol 37.07
    dipropyl ether 142.7
    1,2-dichlorobenzene 362.5
    ethyl lactate 83.41
    propylene carbonate 380.91
    n-methylformamide 98.15
    2-pentanol 45.14
    n-pentane 31.31
    1-propoxy-2-propanol 106.86
    1-methoxy-2-propyl acetate 266.79
    2-(2-methoxypropoxy) propanol 105.1
    mesitylene 79.74
    ε-caprolactone 505.06
    p-cymene 62.3
    epichlorohydrin 654.28
    1,1,1-trichloroethane 950.82
    2-aminoethanol 17.31
    morpholine-4-carbaldehyde 359.7
    sulfolane 821.36
    2,2,4-trimethylpentane 31.64
    2-methyltetrahydrofuran 333.32
    n-hexyl acetate 147.78
    isooctane 12.71
    2-(2-butoxyethoxy)ethanol 108.46
    sec-butyl acetate 164.25
    tert-butyl acetate 228.11
    decalin 46.47
    glycerin 23.13
    diglyme 287.59
    acrylic acid 120.97
    isopropyl myristate 63.23
    n-butyric acid 197.11
    acetyl acetate 384.69
    di(2-ethylhexyl) phthalate 59.44
    ethyl propionate 221.03
    nitromethane 413.29
    1,2-diethoxyethane 217.58
    benzonitrile 87.55
    trioctyl phosphate 43.3
    1-bromopropane 340.36
    gamma-valerolactone 534.41
    n-decanol 23.62
    triethyl phosphate 186.05
    4-methyl-2-pentanol 32.11
    propionitrile 72.21
    vinylene carbonate 325.18
    1,1,2-trichlorotrifluoroethane 520.47
    DMS 229.15
    cumene 53.29
    2-octanol 28.35
    2-hexanone 128.61
    octyl acetate 78.35
    limonene 107.33
    1,2-dimethoxyethane 182.06
    ethyl orthosilicate 181.77
    tributyl phosphate 65.66
    diacetone alcohol 129.75
    N,N-dimethylaniline 100.62
    acrylonitrile 80.56
    aniline 125.33
    1,3-propanediol 33.14
    bromobenzene 417.02
    dibromomethane 747.7
    1,1,2,2-tetrachloroethane 1193.58
    2-methyl-cyclohexyl acetate 175.57
    tetrabutyl urea 81.82
    diisobutyl methanol 39.21
    2-phenylethanol 67.36
    styrene 83.77
    dioctyl adipate 106.77
    dimethyl sulfate 410.11
    ethyl butyrate 223.93
    methyl lactate 101.98
    butyl lactate 101.92
    diethyl carbonate 177.72
    propanediol butyl ether 45.1
    triethyl orthoformate 234.31
    p-tert-butyltoluene 63.77
    methyl 4-tert-butylbenzoate 167.54
    morpholine 248.83
    tert-butylamine 34.15
    n-dodecanol 17.97
    dimethoxymethane 180.01
    ethylene carbonate 310.93
    cyrene 140.26
    2-ethoxyethyl acetate 275.16
    2-ethylhexyl acetate 205.72
    1,2,4-trichlorobenzene 451.55
    4-methylpyridine 221.31
    dibutyl ether 86.7
    2,6-dimethyl-4-heptanol 39.21
    DEF 314.56
    dimethyl isosorbide 261.93
    tetrachloroethylene 775.87
    eugenol 101.81
    triacetin 251.97
    span 80 82.36
    1,4-butanediol 18.87
    1,1-dichloroethane 550.43
    2-methyl-1-pentanol 55.74
    methyl formate 100.01
    2-methyl-1-butanol 55.49
    n-decane 14.21
    butyronitrile 67.03
    3,7-dimethyl-1-octanol 36.68
    1-chlorooctane 56.84
    1-chlorotetradecane 21.09
    n-nonane 13.44
    undecane 9.16
    tert-butylcyclohexane 31.75
    cyclooctane 43.09
    cyclopentanol 94.78
    tetrahydropyran 284.68
    tert-amyl methyl ether 183.99
    2,5,8-trioxanonane 180.88
    1-hexene 61.73
    2-isopropoxyethanol 85.73
    2,2,2-trifluoroethanol 193.71
    methyl butyrate 223.96

    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