[4-(4-Methylpiperazin-4-ium-1-yl)phenyl]methanol

  • Identifiers

    Molecular formula
    C12H19N2O+

    SMILES
    C[NH+]1CCN(CC1)C2=CC=C(C=C2)CO

  • Odor profile

    Fragrance
    Nutty 54.29%
    Roasted 44.48%
    Fishy 37.51%
    Popcorn 35.62%
    Animal 34.17%
    Burnt 30.88%
    Almond 29.79%
    Cheesy 28.36%
    Meaty 26.99%
    Musty 25.95%

     

    Flavor
    Sweet 63.66%
    Bitter 47.71%
    Fruity 45.84%
    Floral 39.17%
    Animal 28.59%
    Powdery 24.8%
    Fruit 23.85%
    Musty 23.78%
    Alkaline 22.78%
    Rose 22.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.08 (neutral)

    Molecular weight
    207.29 g/mol

    Flash point

    • 168.72 ˚C est.

  • Synonyms

    • AKOS015897950
  • Applications

    [4-(4-Methylpiperazin-4-ium-1-yl)phenyl]methanol is primarily used as an intermediate and functional building block in pharmaceutical synthesis and related chemical production, where it can be further derivatized to access heterocyclic amines or pharmacophore motifs. The benzylic hydroxyl group provides a reactive handle for esterification or etherification to tailor materials and formulations. It also serves as a precursor for cationic polymers and additives used in coatings, inks, and adhesives, contributing positive charge and ionic interactions. The quaternary ammonium center can enable applications as a cationic surfactant or phase-transfer catalyst in formulations. In cosmetics-related polymer chemistries, it may be evaluated as a monomeric unit to yield conditioning polymers. Overall, [4-(4-Methylpiperazin-4-ium-1-yl)phenyl]methanol is used as an intermediate and functional modifier across pharmaceutical, polymer, and formulation applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 154.8
    methanol 287.3
    isopropanol 38.09
    water 31.54
    ethyl acetate 43.7
    n-propanol 112.52
    acetone 22.54
    n-butanol 84.94
    acetonitrile 26.62
    DMF 120.22
    toluene 8.5
    isobutanol 55.38
    1,4-dioxane 68.25
    methyl acetate 38.46
    THF 45.64
    2-butanone 25.66
    n-pentanol 41.13
    sec-butanol 33.11
    n-hexane 1.05
    ethylene glycol 168.73
    NMP 80.81
    cyclohexane 3.32
    DMSO 328.25
    n-butyl acetate 28.39
    n-octanol 7.22
    chloroform 124.56
    n-propyl acetate 23.93
    acetic acid 432.59
    dichloromethane 111.24
    cyclohexanone 63.06
    propylene glycol 98.77
    isopropyl acetate 17.24
    DMAc 113.68
    2-ethoxyethanol 173.47
    isopentanol 51.75
    n-heptane 1.46
    ethyl formate 75.87
    1,2-dichloroethane 73.63
    n-hexanol 36.49
    2-methoxyethanol 330.02
    isobutyl acetate 14.11
    tetrachloromethane 22.77
    n-pentyl acetate 10.3
    transcutol 312.28
    n-heptanol 13.67
    ethylbenzene 4.27
    MIBK 11.49
    2-propoxyethanol 125.13
    tert-butanol 42.23
    MTBE 12.81
    2-butoxyethanol 51.53
    propionic acid 155.66
    o-xylene 10.88
    formic acid 577.49
    diethyl ether 18.11
    m-xylene 10.17
    p-xylene 6.1
    chlorobenzene 22.44
    dimethyl carbonate 19.21
    n-octane 0.6
    formamide 579.2
    cyclopentanone 58.36
    2-pentanone 20.11
    anisole 13.03
    cyclopentyl methyl ether 28.37
    gamma-butyrolactone 117.39
    1-methoxy-2-propanol 120.67
    pyridine 62.6
    3-pentanone 20.9
    furfural 159.59
    n-dodecane 0.4
    diethylene glycol 187.73
    diisopropyl ether 4.08
    tert-amyl alcohol 32.17
    acetylacetone 31.42
    n-hexadecane 0.44
    acetophenone 22.32
    methyl propionate 41.66
    isopentyl acetate 23.23
    trichloroethylene 167.68
    n-nonanol 7.37
    cyclohexanol 48.73
    benzyl alcohol 34.11
    2-ethylhexanol 15.02
    isooctanol 11.36
    dipropyl ether 11.72
    1,2-dichlorobenzene 26.89
    ethyl lactate 33.32
    propylene carbonate 70.07
    n-methylformamide 205.83
    2-pentanol 24.49
    n-pentane 1.61
    1-propoxy-2-propanol 55.14
    1-methoxy-2-propyl acetate 43.41
    2-(2-methoxypropoxy) propanol 45.24
    mesitylene 7.05
    ε-caprolactone 71.35
    p-cymene 6.99
    epichlorohydrin 123.91
    1,1,1-trichloroethane 40.88
    2-aminoethanol 240.59
    morpholine-4-carbaldehyde 129.87
    sulfolane 156.19
    2,2,4-trimethylpentane 1.29
    2-methyltetrahydrofuran 34.78
    n-hexyl acetate 12.56
    isooctane 0.8
    2-(2-butoxyethoxy)ethanol 70.58
    sec-butyl acetate 12.01
    tert-butyl acetate 18.24
    decalin 1.38
    glycerin 221.64
    diglyme 131.12
    acrylic acid 175.53
    isopropyl myristate 4.83
    n-butyric acid 184.35
    acetyl acetate 34.96
    di(2-ethylhexyl) phthalate 12.89
    ethyl propionate 19.43
    nitromethane 326.58
    1,2-diethoxyethane 32.21
    benzonitrile 26.03
    trioctyl phosphate 8.08
    1-bromopropane 17.4
    gamma-valerolactone 140.08
    n-decanol 5.53
    triethyl phosphate 18.85
    4-methyl-2-pentanol 12.36
    propionitrile 26.02
    vinylene carbonate 80.78
    1,1,2-trichlorotrifluoroethane 249.93
    DMS 21.46
    cumene 4.69
    2-octanol 5.24
    2-hexanone 12.8
    octyl acetate 7.28
    limonene 8.86
    1,2-dimethoxyethane 88.54
    ethyl orthosilicate 18.2
    tributyl phosphate 11.41
    diacetone alcohol 38.87
    N,N-dimethylaniline 12.25
    acrylonitrile 47.53
    aniline 43.14
    1,3-propanediol 252.18
    bromobenzene 16.91
    dibromomethane 53.03
    1,1,2,2-tetrachloroethane 127.55
    2-methyl-cyclohexyl acetate 20.87
    tetrabutyl urea 13.35
    diisobutyl methanol 7.84
    2-phenylethanol 33.81
    styrene 5.12
    dioctyl adipate 12.22
    dimethyl sulfate 45.41
    ethyl butyrate 23.09
    methyl lactate 54.96
    butyl lactate 22.23
    diethyl carbonate 19.16
    propanediol butyl ether 42.08
    triethyl orthoformate 21.71
    p-tert-butyltoluene 6.57
    methyl 4-tert-butylbenzoate 26.06
    morpholine 114.98
    tert-butylamine 16.88
    n-dodecanol 4.17
    dimethoxymethane 52.28
    ethylene carbonate 64.08
    cyrene 52.22
    2-ethoxyethyl acetate 27.56
    2-ethylhexyl acetate 17.64
    1,2,4-trichlorobenzene 38.12
    4-methylpyridine 37.75
    dibutyl ether 5.74
    2,6-dimethyl-4-heptanol 7.84
    DEF 57.27
    dimethyl isosorbide 63.59
    tetrachloroethylene 122.35
    eugenol 32.65
    triacetin 26.66
    span 80 33.73
    1,4-butanediol 84.9
    1,1-dichloroethane 33.55
    2-methyl-1-pentanol 27.83
    methyl formate 103.91
    2-methyl-1-butanol 51.66
    n-decane 0.65
    butyronitrile 26.9
    3,7-dimethyl-1-octanol 8.85
    1-chlorooctane 2.74
    1-chlorotetradecane 1.27
    n-nonane 0.56
    undecane 0.49
    tert-butylcyclohexane 1.17
    cyclooctane 1.47
    cyclopentanol 43.17
    tetrahydropyran 37.26
    tert-amyl methyl ether 12.69
    2,5,8-trioxanonane 90.04
    1-hexene 3.69
    2-isopropoxyethanol 65.46
    2,2,2-trifluoroethanol 193.07
    methyl butyrate 29.38

    Scent© AI

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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