6-Gingesulfonic acid

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  • Identifiers

    CAS number
    145937-21-9

    Molecular formula
    C17H26O6S

    SMILES
    CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)S(=O)(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 61.73%
    Savory 32.25%
    Meaty 24.84%
    Cooling 24.04%
    Milky 22.32%
    Roasted 20.19%
    Cooked 18.84%
    Spicy 16.37%
    Mint 15.96%
    Citrus 15.73%

     

    Flavor
    Bitter 63.31%
    Odorless 32.55%
    Bland 30.91%
    Mild 22.4%
    Cedarleaf 20.19%
    Lovage 19.74%
    Heather 19.52%
    Parsley 19.47%
    Sweet-like 19.27%
    Broom 19.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.79 (weak base)

    Molecular weight
    358.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    643°C

    Flash point

    • 207.07 ˚C est.

  • Synonyms

    • 6-Gingesulfonic acid
    • 145937-21-9
    • RefChem:104666
    • 1-(4-hydroxy-3-methoxyphenyl)-3-oxodecane-5-sulfonic acid
    • SCHEMBL27900583
    • DTXSID00932731
    • CHEBI:175607
    • 1-(4-hydroxy-3-methoxyphenyl)-3-oxodecane-5-sulonic acid
    • Benzenepentanesulfonic acid, 4-hydroxy-3-methoxy-gamma-oxo-alpha-pentyl-
    • 145937-21-9

  • Applications

    6-Gingesulfonic acid (CAS 145937-21-9) is a polar organic sulfonic acid that is primarily used as an intermediate and building block in chemical synthesis. It is commonly evaluated as a precursor for pharmaceutical and agrochemical intermediates, and it serves in polymer chemistry as a functional handle for preparing sulfonated polymers and ion-exchange resins, as well as proton-conducting membranes and specialty coatings. In dye and pigment chemistry it can function as a reactive sulfonate partner or precursor for water-soluble derivatives used in inks and coatings. It may also be used to tailor surfactant precursors and cleaning formulations where high hydrophilicity is required. Overall, its role is that of an intermediate or derivatization reagent, with use governed by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 62.46
    methanol 150.74
    isopropanol 25.25
    water 0.26
    ethyl acetate 27.58
    n-propanol 32.62
    acetone 144.46
    n-butanol 20.25
    acetonitrile 26.53
    DMF 226.2
    toluene 3.11
    isobutanol 11.97
    1,4-dioxane 75.48
    methyl acetate 35.57
    THF 182.06
    2-butanone 55.07
    n-pentanol 16.6
    sec-butanol 19.51
    n-hexane 0.07
    ethylene glycol 17.43
    NMP 122.51
    cyclohexane 0.41
    DMSO 395.97
    n-butyl acetate 11.84
    n-octanol 9.46
    chloroform 22.81
    n-propyl acetate 15.83
    acetic acid 87.95
    dichloromethane 26.3
    cyclohexanone 76.2
    propylene glycol 25.53
    isopropyl acetate 17.94
    DMAc 275.48
    2-ethoxyethanol 102.76
    isopentanol 14.36
    n-heptane 0.14
    ethyl formate 24.47
    1,2-dichloroethane 25.78
    n-hexanol 11.11
    2-methoxyethanol 196.18
    isobutyl acetate 7.71
    tetrachloromethane 1.37
    n-pentyl acetate 12.55
    transcutol 141.22
    n-heptanol 9.24
    ethylbenzene 2.53
    MIBK 18.17
    2-propoxyethanol 58.21
    tert-butanol 28.5
    MTBE 9.46
    2-butoxyethanol 35.41
    propionic acid 26.77
    o-xylene 3.45
    formic acid 64.78
    diethyl ether 8.56
    m-xylene 2.47
    p-xylene 3.52
    chlorobenzene 6.74
    dimethyl carbonate 22.95
    n-octane 0.18
    formamide 154.7
    cyclopentanone 119.73
    2-pentanone 33.9
    anisole 17.55
    cyclopentyl methyl ether 16.74
    gamma-butyrolactone 104.4
    1-methoxy-2-propanol 93.32
    pyridine 35.88
    3-pentanone 19.94
    furfural 77.64
    n-dodecane 0.28
    diethylene glycol 68.94
    diisopropyl ether 1.81
    tert-amyl alcohol 20.78
    acetylacetone 72.81
    n-hexadecane 0.33
    acetophenone 27.03
    methyl propionate 26.49
    isopentyl acetate 12.16
    trichloroethylene 49.7
    n-nonanol 9.64
    cyclohexanol 15.24
    benzyl alcohol 26.03
    2-ethylhexanol 5.26
    isooctanol 7.31
    dipropyl ether 3.94
    1,2-dichlorobenzene 8.8
    ethyl lactate 19.43
    propylene carbonate 37.61
    n-methylformamide 83.16
    2-pentanol 7.99
    n-pentane 0.08
    1-propoxy-2-propanol 30.15
    1-methoxy-2-propyl acetate 26.81
    2-(2-methoxypropoxy) propanol 39.66
    mesitylene 1.77
    ε-caprolactone 51.81
    p-cymene 2.49
    epichlorohydrin 104.47
    1,1,1-trichloroethane 10.53
    2-aminoethanol 40.44
    morpholine-4-carbaldehyde 137.42
    sulfolane 151.05
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 39.28
    n-hexyl acetate 16.87
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 54.53
    sec-butyl acetate 10.04
    tert-butyl acetate 21.92
    decalin 0.29
    glycerin 50.61
    diglyme 100.6
    acrylic acid 28.65
    isopropyl myristate 7.07
    n-butyric acid 32.44
    acetyl acetate 24.78
    di(2-ethylhexyl) phthalate 12.75
    ethyl propionate 12.63
    nitromethane 176.35
    1,2-diethoxyethane 25.07
    benzonitrile 19.39
    trioctyl phosphate 8.14
    1-bromopropane 4.42
    gamma-valerolactone 161.31
    n-decanol 7.06
    triethyl phosphate 8.63
    4-methyl-2-pentanol 5.2
    propionitrile 14.02
    vinylene carbonate 31.9
    1,1,2-trichlorotrifluoroethane 81.12
    DMS 19.65
    cumene 1.99
    2-octanol 5.99
    2-hexanone 20.22
    octyl acetate 10.02
    limonene 3.27
    1,2-dimethoxyethane 115.81
    ethyl orthosilicate 8.0
    tributyl phosphate 8.9
    diacetone alcohol 50.69
    N,N-dimethylaniline 12.0
    acrylonitrile 25.85
    aniline 12.66
    1,3-propanediol 62.17
    bromobenzene 5.24
    dibromomethane 11.12
    1,1,2,2-tetrachloroethane 42.53
    2-methyl-cyclohexyl acetate 13.28
    tetrabutyl urea 16.97
    diisobutyl methanol 3.51
    2-phenylethanol 21.47
    styrene 3.59
    dioctyl adipate 15.54
    dimethyl sulfate 49.17
    ethyl butyrate 10.16
    methyl lactate 34.52
    butyl lactate 18.59
    diethyl carbonate 8.59
    propanediol butyl ether 37.04
    triethyl orthoformate 9.79
    p-tert-butyltoluene 2.37
    methyl 4-tert-butylbenzoate 28.44
    morpholine 104.5
    tert-butylamine 6.4
    n-dodecanol 4.9
    dimethoxymethane 104.21
    ethylene carbonate 26.56
    cyrene 53.16
    2-ethoxyethyl acetate 28.14
    2-ethylhexyl acetate 8.44
    1,2,4-trichlorobenzene 12.91
    4-methylpyridine 26.59
    dibutyl ether 5.96
    2,6-dimethyl-4-heptanol 3.51
    DEF 47.65
    dimethyl isosorbide 60.06
    tetrachloroethylene 21.52
    eugenol 32.27
    triacetin 29.07
    span 80 29.33
    1,4-butanediol 24.98
    1,1-dichloroethane 12.24
    2-methyl-1-pentanol 12.94
    methyl formate 60.89
    2-methyl-1-butanol 12.75
    n-decane 0.46
    butyronitrile 12.93
    3,7-dimethyl-1-octanol 7.82
    1-chlorooctane 2.91
    1-chlorotetradecane 1.32
    n-nonane 0.33
    undecane 0.35
    tert-butylcyclohexane 0.2
    cyclooctane 0.14
    cyclopentanol 24.0
    tetrahydropyran 30.63
    tert-amyl methyl ether 9.1
    2,5,8-trioxanonane 79.42
    1-hexene 0.62
    2-isopropoxyethanol 48.54
    2,2,2-trifluoroethanol 31.07
    methyl butyrate 20.37

    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