2-Methylbenzenesulfonamide

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  • Identifiers

    CAS number
    88-19-7

    Molecular formula
    C7H9NO2S

    SMILES
    CC1=CC=CC=C1S(=O)(=O)N

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 67.34%
    Sulfurous 26.57%
    Cooked 24.64%
    Roasted 24.06%
    Savory 21.48%
    Pungent 21.16%
    Burnt 20.84%
    Bitter 20.35%
    Meaty 19.05%
    Garlic 16.44%

     

    Flavor
    Bitter 65.09%
    Odorless 24.53%
    Nitrile 22.12%
    Taco 20.88%
    Nutty 20.84%
    Bread crust 20.54%
    Roasted peanuts 20.43%
    Very strong 19.88%
    Urine 19.88%
    Indole 19.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    8.81 (weak base)

    Molecular weight
    171.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 156.3 °C
    • 156 °C

    Boiling point

    • 214 °C at 10 mm Hg
    • >270 °C

    Flash point

    • 156.32 ˚C est.

    Solubility expt.

    • In water, 1.62X10+3 mg/L at 25 °C
    • Slightly soluble in water
    • Soluble in alcohol; slightly soluble in ether
    • Slightly soluble in ether, DMSO; soluble in ethanol
    • Solubility in water, g/100ml at 25 °C: 0.162

  • Synonyms

    • O-TOLUENESULFONAMIDE
    • 88-19-7
    • 2-Methylbenzenesulfonamide
    • 2-Toluenesulfonamide
    • Benzenesulfonamide, 2-methyl-
    • o-Methylbenzenesulfonamide
    • ortho-Toluenesulfonamide
    • 2-Tolylsulfonamide
    • Ortho-toluol-sulfonamid
    • ortho-Toluenesulphonamide
    • DTXSID7021362
    • R81Z6V889P
    • NSC-2185
    • DTXCID301362
    • o-toluolsulfonamide
    • RefChem:910086
    • 201-808-8
    • 2-methylbenzene-1-sulfonamide
    • Toluene-2-sulfonamide
    • Toluene-2-sulphonamide
    • MFCD00007934
    • NSC 2185
    • 2-Methylbenzene-1-sulphonamide
    • Ketjenflex 9
    • 8013-74-9
    • Santicizer 9
    • Ketjenflex 9S
    • o-(Or p)-toluenesulphonamide
    • 2(or 4)-Toluenesulfonamide
    • CCRIS 8900
    • HSDB 5256
    • ortho-Toluol-sulfonamid [German]
    • 2(or 4)-Methylbenzenesulfonamide
    • EINECS 201-808-8
    • EINECS 232-394-7
    • Benzenesulfonamide, 2(or 4)-methyl-
    • BRN 1102362
    • TOLUENESULFONAMIDE, O-
    • UNII-R81Z6V889P
    • AI3-23216
    • o-tolylsulfonamide
    • OTS amide
    • toluene sulfonamide
    • IEJ
    • 2-toluenesulphonamide
    • o-toluene sulfonamide
    • methyl-benzenesulphonamide
    • Toluene-2-sulfonamide RS
    • 2-methylbenzene-sulfonamide
    • WLN: ZSWR B1
    • EC 201-808-8
    • 2-methyl-benzenesulphonamide
    • 2-methylbenzene sulphonamide
    • o-Toluenesulfonamide, 99%
    • SCHEMBL7369
    • SPR_3
    • Uniplex 171 (Salt/Mix)
    • 4-11-00-00229 (Beilstein Handbook Reference)
    • SCHEMBL305238
    • SCHEMBL971098
    • CHEMBL176892
    • orb1310484
    • SCHEMBL3800751
    • SCHEMBL6290698
    • SCHEMBL10725287
    • SCHEMBL22208964
    • SCHEMBL28246655
    • SCHEMBL29410204
    • BDBM35999
    • NSC2185
    • O-TOLUENESULFONAMIDE [HSDB]
    • STR03407
    • Tox21_301641
    • EBC-03227
    • SBB058537
    • STK325715
    • O-TOLUENESULFONAMIDE [USP-RS]
    • AKOS000119649
    • CS-W010774
    • FM37539
    • MSK000855-100A
    • CAS-88-19-7
    • MSK000855-1000A
    • NCGC00255267-01
    • PD055397
    • SY048993
    • TS-02327
    • NS00010811
    • ST50407149
    • T0280
    • EN300-18329
    • E70309
    • AE-562/40299836
    • F403351
    • Q27287945
    • Z57902803
    • O-Tolylsulfonilamide Solution in Acetonitrile, 100ug/mL
    • O-Tolylsulfonilamide Solution in Acetonitrile, 1000ug/mL
    • o-Toluenesulfonamide, United States Pharmacopeia (USP) Reference Standard
    • InChI=1/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10
    • o-Toluenesulfonamide, Pharmaceutical Secondary Standard; Certified Reference Material
    • 88-19-7

  • Applications

    2-Methylbenzenesulfonamide (CAS 88-19-7) is primarily used as an intermediate in the synthesis of sulfonamide derivatives; in industrial manufacturing it serves as a building block for pharmaceuticals and agrochemicals, as well as for dyes and pigments. It may be used as a precursor in specialty polymers and resin formulations, and as a chemical intermediate in coatings and inks. The compound is occasionally evaluated for use in electronics-related materials and other specialty chemicals, subject to formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 74.41
    methanol 138.17
    isopropanol 38.95
    water 6.77
    ethyl acetate 84.07
    n-propanol 39.21
    acetone 285.16
    n-butanol 27.08
    acetonitrile 128.41
    DMF 535.6
    toluene 18.9
    isobutanol 14.49
    1,4-dioxane 199.37
    methyl acetate 112.57
    THF 287.86
    2-butanone 143.62
    n-pentanol 14.03
    sec-butanol 25.72
    n-hexane 0.96
    ethylene glycol 53.33
    NMP 300.17
    cyclohexane 1.62
    DMSO 438.39
    n-butyl acetate 32.98
    n-octanol 19.0
    chloroform 21.2
    n-propyl acetate 34.13
    acetic acid 72.22
    dichloromethane 13.74
    cyclohexanone 198.79
    propylene glycol 44.79
    isopropyl acetate 47.01
    DMAc 224.21
    2-ethoxyethanol 67.01
    isopentanol 13.62
    n-heptane 1.79
    ethyl formate 52.61
    1,2-dichloroethane 25.65
    n-hexanol 26.33
    2-methoxyethanol 187.47
    isobutyl acetate 15.21
    tetrachloromethane 5.8
    n-pentyl acetate 28.12
    transcutol 113.07
    n-heptanol 17.86
    ethylbenzene 7.57
    MIBK 47.83
    2-propoxyethanol 89.22
    tert-butanol 34.26
    MTBE 23.84
    2-butoxyethanol 43.73
    propionic acid 49.64
    o-xylene 12.88
    formic acid 70.13
    diethyl ether 45.54
    m-xylene 13.53
    p-xylene 10.37
    chlorobenzene 28.77
    dimethyl carbonate 66.14
    n-octane 1.19
    formamide 169.39
    cyclopentanone 305.35
    2-pentanone 107.08
    anisole 42.13
    cyclopentyl methyl ether 69.38
    gamma-butyrolactone 265.45
    1-methoxy-2-propanol 119.32
    pyridine 99.57
    3-pentanone 83.35
    furfural 189.08
    n-dodecane 1.31
    diethylene glycol 106.58
    diisopropyl ether 10.45
    tert-amyl alcohol 23.64
    acetylacetone 183.66
    n-hexadecane 1.53
    acetophenone 45.84
    methyl propionate 88.1
    isopentyl acetate 25.02
    trichloroethylene 48.17
    n-nonanol 18.08
    cyclohexanol 25.2
    benzyl alcohol 28.09
    2-ethylhexanol 14.13
    isooctanol 12.23
    dipropyl ether 20.42
    1,2-dichlorobenzene 24.49
    ethyl lactate 29.56
    propylene carbonate 84.76
    n-methylformamide 183.11
    2-pentanol 16.55
    n-pentane 1.28
    1-propoxy-2-propanol 53.89
    1-methoxy-2-propyl acetate 59.3
    2-(2-methoxypropoxy) propanol 46.97
    mesitylene 9.69
    ε-caprolactone 101.65
    p-cymene 9.16
    epichlorohydrin 138.26
    1,1,1-trichloroethane 22.87
    2-aminoethanol 60.64
    morpholine-4-carbaldehyde 265.76
    sulfolane 319.62
    2,2,4-trimethylpentane 0.93
    2-methyltetrahydrofuran 90.75
    n-hexyl acetate 39.65
    isooctane 0.87
    2-(2-butoxyethoxy)ethanol 63.47
    sec-butyl acetate 21.55
    tert-butyl acetate 49.96
    decalin 1.4
    glycerin 90.07
    diglyme 105.49
    acrylic acid 58.4
    isopropyl myristate 18.56
    n-butyric acid 47.1
    acetyl acetate 55.52
    di(2-ethylhexyl) phthalate 18.8
    ethyl propionate 39.3
    nitromethane 265.08
    1,2-diethoxyethane 36.39
    benzonitrile 41.36
    trioctyl phosphate 16.27
    1-bromopropane 12.66
    gamma-valerolactone 331.69
    n-decanol 14.49
    triethyl phosphate 19.43
    4-methyl-2-pentanol 9.34
    propionitrile 54.17
    vinylene carbonate 74.59
    1,1,2-trichlorotrifluoroethane 94.74
    DMS 46.11
    cumene 5.94
    2-octanol 13.41
    2-hexanone 43.94
    octyl acetate 25.71
    limonene 12.83
    1,2-dimethoxyethane 118.66
    ethyl orthosilicate 16.49
    tributyl phosphate 18.04
    diacetone alcohol 75.56
    N,N-dimethylaniline 24.27
    acrylonitrile 89.34
    aniline 40.7
    1,3-propanediol 67.38
    bromobenzene 20.29
    dibromomethane 11.2
    1,1,2,2-tetrachloroethane 38.32
    2-methyl-cyclohexyl acetate 27.17
    tetrabutyl urea 28.88
    diisobutyl methanol 9.79
    2-phenylethanol 39.77
    styrene 9.96
    dioctyl adipate 24.8
    dimethyl sulfate 120.37
    ethyl butyrate 29.36
    methyl lactate 73.49
    butyl lactate 27.86
    diethyl carbonate 20.56
    propanediol butyl ether 43.61
    triethyl orthoformate 21.65
    p-tert-butyltoluene 9.56
    methyl 4-tert-butylbenzoate 46.17
    morpholine 159.45
    tert-butylamine 15.89
    n-dodecanol 11.3
    dimethoxymethane 209.3
    ethylene carbonate 60.55
    cyrene 56.76
    2-ethoxyethyl acetate 45.15
    2-ethylhexyl acetate 20.56
    1,2,4-trichlorobenzene 31.31
    4-methylpyridine 75.19
    dibutyl ether 15.51
    2,6-dimethyl-4-heptanol 9.79
    DEF 93.93
    dimethyl isosorbide 86.31
    tetrachloroethylene 28.04
    eugenol 49.6
    triacetin 42.56
    span 80 41.3
    1,4-butanediol 21.19
    1,1-dichloroethane 21.15
    2-methyl-1-pentanol 9.81
    methyl formate 154.35
    2-methyl-1-butanol 12.91
    n-decane 1.97
    butyronitrile 40.01
    3,7-dimethyl-1-octanol 14.13
    1-chlorooctane 9.87
    1-chlorotetradecane 4.82
    n-nonane 1.71
    undecane 1.58
    tert-butylcyclohexane 1.37
    cyclooctane 0.79
    cyclopentanol 44.1
    tetrahydropyran 83.57
    tert-amyl methyl ether 21.68
    2,5,8-trioxanonane 81.96
    1-hexene 4.85
    2-isopropoxyethanol 34.66
    2,2,2-trifluoroethanol 47.45
    methyl butyrate 46.52

    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