Sodium 4-methylbenzenesulfonate

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  • Identifiers

    CAS number
    12068-03-0

    Molecular formula
    C7H7NaO3S

    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 75.1%
    Bitter 23.07%
    Cooked 19.21%
    Burnt 18.56%
    Sulfurous 16.95%
    Roasted 16.84%
    Pungent 16.33%
    Savory 16.11%
    Aromatic 14.82%
    Sharp 13.82%

     

    Flavor
    Bitter 63.97%
    Odorless 26.19%
    Nitrile 22.03%
    Urine 20.72%
    Very strong 19.75%
    Almond shell 19.7%
    Bread crust 19.66%
    Taco 19.59%
    Indole 19.5%
    Roasted peanuts 19.3%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    5.56 (weak acid)

    Molecular weight
    194.19 g/mol

    Flash point

    • 127.95 ˚C est.

  • Synonyms

    • Sodium 4-methylbenzenesulfonate
    • Sodium tosylate
    • Sodium toluenesulfonate
    • p-Toluenesulfonic acid sodium salt
    • 12068-03-0
    • Sodium methylbenzenesulfonate
    • Sodium toluenesulphonate
    • p-Toluenesulfonic acid, sodium salt
    • Sodium p-tolylsulfonate
    • sodium;4-methylbenzenesulfonate
    • sodium toluene sulfonate
    • sodium 4-methylbenzene-1-sulfonate
    • Sodium 4-toluenesulfonate
    • Sodium p-methylbenzenesulfonate
    • SODIUM P-TOLYL SULFONATE
    • 4-Toluenesulfonic acid sodium salt
    • DTXSID9042415
    • MFCD00064388
    • 2V179P6Q43
    • Tosylate, sodium
    • Naxonate hydrotrope
    • 4-Methylbenzenesulfonic acid sodium salt
    • Benzenesulfonic acid, 4-methyl-, sodium salt (1:1)
    • Cyclophil STS 70
    • Eltesol ST 34
    • Eltesol ST 90
    • Pilot STS 32
    • sodium p-toluene sulfonate
    • Sodium toluene-p-sulphonate
    • Sodium toluene-4-sulphonate
    • Sodium paratoluene sulphonate
    • Toluenesulfonic acid sodium salt
    • HSDB 5738
    • NSC-203318
    • ar-Toluenesulfonic acid, sodium salt
    • EINECS 211-522-5
    • EINECS 235-088-1
    • P-Toluenesulfonic acid sodium salt hydrate
    • para-Toluenesulfonic acid, sodium salt
    • NSC 203318
    • Benzenesulfonic acid, methyl-, sodium salt
    • AI3-50010
    • UNII-2V179P6Q43
    • NaOTs
    • Methylbenzenesulfonic acid, sodium salt
    • TOLUENESULFONIC ACID, SODIUM SALT
    • ELTESOL ST90
    • sodium p-toluenesulphonate
    • sodium paratoluenesulfonate
    • sodium 4-toluenesulphonate
    • ELTESOL ST 40
    • sodium p-toluene sulphonate
    • EC 211-522-5
    • sodium para-toluenesulfonate
    • SCHEMBL57154
    • DTXCID407736
    • orb2939740
    • CHEMBL3186382
    • Tox21_301380
    • EBC-14844
    • AKOS000119798
    • AKOS002948026
    • 4-METHYLPHENYL SODIUM SULFONATE
    • CS-W004048
    • HY-W004048
    • SODIUM P-TOLYL SULFONATE [HSDB]
    • NCGC00255749-01
    • AS-81730
    • CAS-657-84-1
    • FS171286
    • DB-344077
    • NS00078397
    • T0271
    • EN300-16832
    • P-TOLUENESULFONIC ACID SODIUM SALT [MI]
    • P20546
    • Benzenesulfonic acid, methyl-, sodium salt (1:1)
    • F464560
    • Q16585175
    • 12068-03-0

  • Applications

    Sodium 4-methylbenzenesulfonate (CAS 12068-03-0) is used primarily as a water-soluble aryl sulfonate salt in chemical synthesis and formulation work. In organic synthesis, it provides the aryl sulfonate anion and appears in salt-formation steps, supporting purification and crystallization strategies. In pharmaceutical manufacturing, it is evaluated as a salt form or intermediate that can influence solubility, ionic strength, and separation processes. In materials and coatings, it can function as a counterion or ionic additive to tune interactions in polymers, coatings, and adhesives. In analytical laboratories, it is used as a water-soluble sulfonate standard or supporting electrolyte for various separation and analytical procedures.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 244.71
    methanol 235.91
    isopropanol 151.71
    water 0.85
    ethyl acetate 504.89
    n-propanol 180.86
    acetone 726.08
    n-butanol 158.9
    acetonitrile 587.09
    DMF 1628.34
    toluene 51.45
    isobutanol 110.19
    1,4-dioxane 425.73
    methyl acetate 756.52
    THF 891.21
    2-butanone 790.98
    n-pentanol 108.05
    sec-butanol 199.65
    n-hexane 1.8
    ethylene glycol 78.19
    NMP 1527.14
    cyclohexane 4.3
    DMSO 843.49
    n-butyl acetate 182.57
    n-octanol 55.54
    chloroform 180.46
    n-propyl acetate 219.49
    acetic acid 302.63
    dichloromethane 298.7
    cyclohexanone 610.45
    propylene glycol 138.76
    isopropyl acetate 230.76
    DMAc 1179.1
    2-ethoxyethanol 287.2
    isopentanol 128.78
    n-heptane 4.09
    ethyl formate 291.61
    1,2-dichloroethane 303.66
    n-hexanol 113.98
    2-methoxyethanol 579.71
    isobutyl acetate 83.88
    tetrachloromethane 14.71
    n-pentyl acetate 116.05
    transcutol 511.04
    n-heptanol 58.59
    ethylbenzene 31.99
    MIBK 192.65
    2-propoxyethanol 256.73
    tert-butanol 200.05
    MTBE 178.28
    2-butoxyethanol 148.11
    propionic acid 282.79
    o-xylene 41.92
    formic acid 170.59
    diethyl ether 165.74
    m-xylene 35.96
    p-xylene 42.22
    chlorobenzene 115.86
    dimethyl carbonate 218.02
    n-octane 2.13
    formamide 749.07
    cyclopentanone 1108.27
    2-pentanone 450.09
    anisole 188.64
    cyclopentyl methyl ether 231.56
    gamma-butyrolactone 1185.08
    1-methoxy-2-propanol 428.28
    pyridine 488.42
    3-pentanone 332.45
    furfural 820.27
    n-dodecane 2.6
    diethylene glycol 207.35
    diisopropyl ether 38.45
    tert-amyl alcohol 231.0
    acetylacetone 588.01
    n-hexadecane 2.98
    acetophenone 235.56
    methyl propionate 470.37
    isopentyl acetate 148.19
    trichloroethylene 604.27
    n-nonanol 52.22
    cyclohexanol 125.02
    benzyl alcohol 148.0
    2-ethylhexanol 64.26
    isooctanol 45.6
    dipropyl ether 62.7
    1,2-dichlorobenzene 116.79
    ethyl lactate 123.62
    propylene carbonate 450.99
    n-methylformamide 871.56
    2-pentanol 116.94
    n-pentane 3.06
    1-propoxy-2-propanol 168.65
    1-methoxy-2-propyl acetate 237.41
    2-(2-methoxypropoxy) propanol 165.79
    mesitylene 21.58
    ε-caprolactone 495.31
    p-cymene 28.64
    epichlorohydrin 1060.77
    1,1,1-trichloroethane 166.36
    2-aminoethanol 157.68
    morpholine-4-carbaldehyde 927.9
    sulfolane 1049.07
    2,2,4-trimethylpentane 3.31
    2-methyltetrahydrofuran 586.47
    n-hexyl acetate 157.12
    isooctane 2.4
    2-(2-butoxyethoxy)ethanol 226.44
    sec-butyl acetate 139.02
    tert-butyl acetate 244.45
    decalin 3.71
    glycerin 175.85
    diglyme 403.98
    acrylic acid 305.28
    isopropyl myristate 61.86
    n-butyric acid 255.95
    acetyl acetate 271.64
    di(2-ethylhexyl) phthalate 62.9
    ethyl propionate 208.81
    nitromethane 1447.43
    1,2-diethoxyethane 156.87
    benzonitrile 207.68
    trioctyl phosphate 46.79
    1-bromopropane 89.16
    gamma-valerolactone 1061.75
    n-decanol 42.87
    triethyl phosphate 64.59
    4-methyl-2-pentanol 59.14
    propionitrile 312.98
    vinylene carbonate 370.11
    1,1,2-trichlorotrifluoroethane 421.49
    DMS 199.21
    cumene 21.43
    2-octanol 44.34
    2-hexanone 234.57
    octyl acetate 86.97
    limonene 45.93
    1,2-dimethoxyethane 403.42
    ethyl orthosilicate 51.43
    tributyl phosphate 58.48
    diacetone alcohol 388.09
    N,N-dimethylaniline 98.78
    acrylonitrile 565.36
    aniline 148.67
    1,3-propanediol 210.99
    bromobenzene 90.78
    dibromomethane 133.75
    1,1,2,2-tetrachloroethane 395.18
    2-methyl-cyclohexyl acetate 109.56
    tetrabutyl urea 82.92
    diisobutyl methanol 38.51
    2-phenylethanol 146.94
    styrene 46.17
    dioctyl adipate 97.43
    dimethyl sulfate 380.96
    ethyl butyrate 135.24
    methyl lactate 242.88
    butyl lactate 99.64
    diethyl carbonate 91.09
    propanediol butyl ether 143.92
    triethyl orthoformate 75.17
    p-tert-butyltoluene 28.89
    methyl 4-tert-butylbenzoate 142.4
    morpholine 634.34
    tert-butylamine 82.59
    n-dodecanol 32.13
    dimethoxymethane 442.67
    ethylene carbonate 245.23
    cyrene 233.44
    2-ethoxyethyl acetate 216.76
    2-ethylhexyl acetate 110.71
    1,2,4-trichlorobenzene 179.09
    4-methylpyridine 437.55
    dibutyl ether 52.74
    2,6-dimethyl-4-heptanol 38.51
    DEF 558.59
    dimethyl isosorbide 315.91
    tetrachloroethylene 162.29
    eugenol 145.31
    triacetin 188.14
    span 80 132.3
    1,4-butanediol 78.1
    1,1-dichloroethane 210.27
    2-methyl-1-pentanol 96.54
    methyl formate 575.63
    2-methyl-1-butanol 134.9
    n-decane 3.56
    butyronitrile 235.41
    3,7-dimethyl-1-octanol 54.9
    1-chlorooctane 24.77
    1-chlorotetradecane 11.36
    n-nonane 3.03
    undecane 3.07
    tert-butylcyclohexane 3.42
    cyclooctane 1.6
    cyclopentanol 217.53
    tetrahydropyran 310.26
    tert-amyl methyl ether 163.62
    2,5,8-trioxanonane 284.4
    1-hexene 15.87
    2-isopropoxyethanol 172.31
    2,2,2-trifluoroethanol 159.01
    methyl butyrate 283.38

    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