Thiocol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1321-14-8

    Molecular formula
    C7H9KO6S

    SMILES
    COC1=C(C=CC(=C1)S(=O)(=O)[O-])O.O.[K+]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 80.09%
    Savory 21.43%
    Burnt 21.19%
    Bitter 18.1%
    Milky 17.97%
    Cooked 17.74%
    Phenolic 17.39%
    Roasted 17.16%
    Caramellic 15.16%
    Sweet 14.82%

     

    Flavor
    Bitter 70.03%
    Odorless 33.61%
    Mild 22.94%
    Bland 21.77%
    Nitrile 20.7%
    Urine 19.86%
    Bread crust 19.71%
    Taco 19.51%
    Lovage 19.47%
    Roasted peanuts 19.2%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.37 (neutral)

    Molecular weight
    260.31 g/mol

    Flash point

    • 162.49 ˚C est.

  • Synonyms

    • potassium guaiacolsulfonate
    • Sulfogaiacol hemihydrate
    • Potassium sulfoguaiacolate
    • potassium guaiacolsulphonate
    • Potassium guaiacolsulfonate hydrate
    • Sulfoguayacol
    • Sulfogaiacolum
    • Thiocol
    • RefChem:897770
    • 21A795TNZD
    • TTK33Z47F1
    • DTXSID90927535
    • DTXCID501478459
    • Guaiacolsulfonate Potassium Anhydrous
    • POTASSIUM GUAIACOLSULFONATE ANHYDROUS
    • POTASSIUM HYDROXYMETHOXYBENZENESULPHONATE HEMIHYDRATE
    • 215-314-5
    • 1321-14-8
    • Benzenesulfonic acid, hydroxymethoxy-, monopotassium salt
    • Benzenesulfonic acid,4-hydroxy-3-methoxy-
    • MFCD07371360
    • CHEMBL3989744
    • SCHEMBL30161823
    • Guaiacolsulfonic acid potassium salt hemihydrate
    • 1321-14-8

  • Applications

    Thiocol (CAS 1321-14-8) may be used as an intermediate and processing aid in organic synthesis and industrial formulations; it may serve as a solvent or co-solvent in coatings and inks, as a building block in polymers and specialty chemicals, as a processing aid or additive in plastics and elastomers, as a component in adhesives and sealants, and as a cleaning or degreasing solvent in industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.29
    methanol 81.1
    isopropanol 24.94
    water 1.56
    ethyl acetate 38.98
    n-propanol 23.4
    acetone 199.21
    n-butanol 16.92
    acetonitrile 69.38
    DMF 594.42
    toluene 4.34
    isobutanol 11.55
    1,4-dioxane 134.18
    methyl acetate 90.29
    THF 269.63
    2-butanone 101.13
    n-pentanol 13.18
    sec-butanol 23.18
    n-hexane 0.23
    ethylene glycol 46.31
    NMP 638.75
    cyclohexane 0.81
    DMSO 724.13
    n-butyl acetate 25.92
    n-octanol 13.15
    chloroform 4.7
    n-propyl acetate 30.24
    acetic acid 70.65
    dichloromethane 16.97
    cyclohexanone 89.81
    propylene glycol 32.56
    isopropyl acetate 23.76
    DMAc 507.54
    2-ethoxyethanol 113.41
    isopentanol 13.87
    n-heptane 1.26
    ethyl formate 38.46
    1,2-dichloroethane 22.69
    n-hexanol 15.52
    2-methoxyethanol 211.93
    isobutyl acetate 10.09
    tetrachloromethane 0.68
    n-pentyl acetate 21.84
    transcutol 164.98
    n-heptanol 13.63
    ethylbenzene 3.85
    MIBK 23.04
    2-propoxyethanol 76.79
    tert-butanol 37.08
    MTBE 25.42
    2-butoxyethanol 43.31
    propionic acid 37.43
    o-xylene 5.87
    formic acid 112.36
    diethyl ether 25.38
    m-xylene 3.86
    p-xylene 5.29
    chlorobenzene 7.57
    dimethyl carbonate 58.02
    n-octane 0.68
    formamide 392.44
    cyclopentanone 243.36
    2-pentanone 47.96
    anisole 40.38
    cyclopentyl methyl ether 41.62
    gamma-butyrolactone 289.63
    1-methoxy-2-propanol 116.7
    pyridine 82.61
    3-pentanone 36.97
    furfural 240.35
    n-dodecane 0.67
    diethylene glycol 98.87
    diisopropyl ether 5.29
    tert-amyl alcohol 35.3
    acetylacetone 108.11
    n-hexadecane 0.79
    acetophenone 55.34
    methyl propionate 60.04
    isopentyl acetate 20.87
    trichloroethylene 36.51
    n-nonanol 13.14
    cyclohexanol 15.85
    benzyl alcohol 33.27
    2-ethylhexanol 10.07
    isooctanol 10.16
    dipropyl ether 14.84
    1,2-dichlorobenzene 10.14
    ethyl lactate 33.14
    propylene carbonate 75.4
    n-methylformamide 224.67
    2-pentanol 12.31
    n-pentane 0.4
    1-propoxy-2-propanol 43.98
    1-methoxy-2-propyl acetate 49.36
    2-(2-methoxypropoxy) propanol 56.41
    mesitylene 3.31
    ε-caprolactone 87.69
    p-cymene 6.04
    epichlorohydrin 191.76
    1,1,1-trichloroethane 5.94
    2-aminoethanol 46.57
    morpholine-4-carbaldehyde 428.85
    sulfolane 383.31
    2,2,4-trimethylpentane 0.38
    2-methyltetrahydrofuran 96.72
    n-hexyl acetate 28.28
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 65.07
    sec-butyl acetate 15.81
    tert-butyl acetate 34.62
    decalin 0.5
    glycerin 94.89
    diglyme 144.55
    acrylic acid 56.57
    isopropyl myristate 13.23
    n-butyric acid 25.86
    acetyl acetate 30.19
    di(2-ethylhexyl) phthalate 16.09
    ethyl propionate 25.09
    nitromethane 403.07
    1,2-diethoxyethane 40.26
    benzonitrile 31.11
    trioctyl phosphate 12.01
    1-bromopropane 4.46
    gamma-valerolactone 330.0
    n-decanol 10.25
    triethyl phosphate 18.75
    4-methyl-2-pentanol 6.81
    propionitrile 25.12
    vinylene carbonate 70.17
    1,1,2-trichlorotrifluoroethane 120.87
    DMS 43.63
    cumene 3.22
    2-octanol 9.45
    2-hexanone 29.52
    octyl acetate 18.21
    limonene 8.68
    1,2-dimethoxyethane 164.12
    ethyl orthosilicate 15.52
    tributyl phosphate 12.55
    diacetone alcohol 71.0
    N,N-dimethylaniline 29.24
    acrylonitrile 62.23
    aniline 21.3
    1,3-propanediol 55.26
    bromobenzene 4.81
    dibromomethane 5.97
    1,1,2,2-tetrachloroethane 25.27
    2-methyl-cyclohexyl acetate 24.92
    tetrabutyl urea 25.49
    diisobutyl methanol 6.94
    2-phenylethanol 30.48
    styrene 5.4
    dioctyl adipate 25.08
    dimethyl sulfate 141.53
    ethyl butyrate 24.42
    methyl lactate 65.26
    butyl lactate 23.32
    diethyl carbonate 18.58
    propanediol butyl ether 40.89
    triethyl orthoformate 21.14
    p-tert-butyltoluene 6.1
    methyl 4-tert-butylbenzoate 45.83
    morpholine 160.9
    tert-butylamine 11.8
    n-dodecanol 7.58
    dimethoxymethane 196.2
    ethylene carbonate 44.17
    cyrene 100.51
    2-ethoxyethyl acetate 47.23
    2-ethylhexyl acetate 15.59
    1,2,4-trichlorobenzene 17.92
    4-methylpyridine 62.4
    dibutyl ether 11.25
    2,6-dimethyl-4-heptanol 6.94
    DEF 103.05
    dimethyl isosorbide 103.04
    tetrachloroethylene 14.21
    eugenol 47.96
    triacetin 54.71
    span 80 36.72
    1,4-butanediol 25.33
    1,1-dichloroethane 7.95
    2-methyl-1-pentanol 11.1
    methyl formate 190.95
    2-methyl-1-butanol 13.53
    n-decane 1.08
    butyronitrile 17.91
    3,7-dimethyl-1-octanol 10.56
    1-chlorooctane 4.49
    1-chlorotetradecane 2.21
    n-nonane 0.94
    undecane 0.84
    tert-butylcyclohexane 0.4
    cyclooctane 0.44
    cyclopentanol 33.04
    tetrahydropyran 44.35
    tert-amyl methyl ether 23.63
    2,5,8-trioxanonane 107.59
    1-hexene 1.27
    2-isopropoxyethanol 58.65
    2,2,2-trifluoroethanol 50.31
    methyl butyrate 36.67

    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