N-Ethyl-o-toluenesulfonamide

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  • Identifiers

    CAS number
    1077-56-1

    Molecular formula
    C9H13NO2S

    SMILES
    CCNS(=O)(=O)C1=CC=CC=C1C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 58.48%
    Meaty 31.41%
    Roasted 30.22%
    Savory 30.06%
    Cooked 30.06%
    Sulfurous 26.08%
    Pungent 20.25%
    Burnt 19.03%
    Onion 18.32%
    Bitter 17.36%

     

    Flavor
    Bitter 66.29%
    Odorless 25.41%
    Nitrile 21.59%
    Mild 20.63%
    Taco 20.16%
    Roasted peanuts 19.76%
    Bread crust 19.6%
    Gooseberry 19.19%
    Scallion 19.15%
    Very strong 19.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.14 (weak base)

    Molecular weight
    199.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    327°C

    Flash point

    • 183.71 ˚C est.
    • greater than 200 °F (NTP, 1992)

    Solubility expt.

    • less than 0.1 mg/mL at 64 °F (NTP, 1992)

  • Synonyms

    • N-ETHYL-O-TOLUENESULFONAMIDE
    • 1077-56-1
    • N-Ethyl-2-methylbenzenesulfonamide
    • Benzenesulfonamide, N-ethyl-2-methyl-
    • N-Ethyltoluene-2-sulphonamide
    • o-Toluenesulfonamide, N-ethyl-
    • HSDB 5782
    • O-TOLUENE ETHYL SULFONAMIDE
    • UNII-6Y8J5WET03
    • Uniplex 108
    • 6Y8J5WET03
    • EINECS 214-073-3
    • DTXSID5052416
    • N-ETHYL-O-TOLUENESULFONAMIDE [HSDB]
    • RefChem:163332
    • oToluenesulfonamide, Nethyl
    • DTXCID1030101
    • Benzenesulfonamide, Nethyl2methyl
    • 8047-99-2
    • NATWUQFQFMZVMT-UHFFFAOYSA-N
    • N-ethyl-2-methylbenzene-1-sulfonamide
    • n-e-o/ptsa
    • MFCD00059226
    • N-Ethyl-O-toluene sulfonyl amide
    • N-ethyl-2-methyl-benzenesulfonamide
    • N-Ethyl-2-toluenesulfonamide
    • SCHEMBL126986
    • SCHEMBL9341407
    • SCHEMBL9468430
    • SCHEMBL16825009
    • SCHEMBL30194714
    • N-Ethyl-o(or p)-toluenesulfonamide
    • MSK161675
    • AKOS006275681
    • AS-59292
    • DB-221628
    • CS-0440504
    • NS00010733
    • D88149
    • EN300-1452505
    • 047E992
    • Q27265713
    • 1077-56-1

  • Applications

    N-Ethyl-o-toluenesulfonamide, CAS 1077-56-1, is primarily used as an organic synthesis intermediate and building block for later-stage sulfonamide compounds. In practice, it is commonly evaluated as a precursor in the preparation of pharmaceutical and agrochemical intermediates, and as a starting material for the synthesis of arylsulfonamide derivatives intended for dyes and pigments. It also finds utility in polymer and coatings formulations where sulfonamide linkages are desired, and may serve as a reagent or intermediate in research and development settings for sulfonamide chemistry. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 139.96
    methanol 196.38
    isopropanol 110.29
    water 2.2
    ethyl acetate 91.47
    n-propanol 101.95
    acetone 185.95
    n-butanol 96.29
    acetonitrile 150.68
    DMF 640.79
    toluene 41.83
    isobutanol 59.68
    1,4-dioxane 225.24
    methyl acetate 126.79
    THF 228.14
    2-butanone 177.63
    n-pentanol 64.31
    sec-butanol 105.74
    n-hexane 1.8
    ethylene glycol 49.04
    NMP 428.77
    cyclohexane 9.18
    DMSO 306.4
    n-butyl acetate 67.12
    n-octanol 57.68
    chloroform 216.05
    n-propyl acetate 61.55
    acetic acid 139.05
    dichloromethane 155.77
    cyclohexanone 341.22
    propylene glycol 87.99
    isopropyl acetate 54.63
    DMAc 343.77
    2-ethoxyethanol 96.55
    isopentanol 55.89
    n-heptane 2.69
    ethyl formate 110.19
    1,2-dichloroethane 125.99
    n-hexanol 68.35
    2-methoxyethanol 222.1
    isobutyl acetate 33.99
    tetrachloromethane 20.93
    n-pentyl acetate 62.21
    transcutol 166.19
    n-heptanol 44.0
    ethylbenzene 26.02
    MIBK 57.53
    2-propoxyethanol 117.82
    tert-butanol 85.72
    MTBE 49.06
    2-butoxyethanol 72.71
    propionic acid 114.22
    o-xylene 32.4
    formic acid 77.11
    diethyl ether 49.99
    m-xylene 28.17
    p-xylene 33.86
    chlorobenzene 106.61
    dimethyl carbonate 57.04
    n-octane 2.62
    formamide 171.95
    cyclopentanone 320.97
    2-pentanone 114.48
    anisole 75.01
    cyclopentyl methyl ether 73.75
    gamma-butyrolactone 309.55
    1-methoxy-2-propanol 158.2
    pyridine 227.49
    3-pentanone 97.38
    furfural 316.8
    n-dodecane 3.91
    diethylene glycol 114.81
    diisopropyl ether 13.53
    tert-amyl alcohol 80.46
    acetylacetone 141.16
    n-hexadecane 4.55
    acetophenone 92.48
    methyl propionate 93.01
    isopentyl acetate 55.09
    trichloroethylene 250.38
    n-nonanol 51.95
    cyclohexanol 99.55
    benzyl alcohol 83.75
    2-ethylhexanol 34.86
    isooctanol 30.7
    dipropyl ether 24.15
    1,2-dichlorobenzene 96.61
    ethyl lactate 56.86
    propylene carbonate 164.13
    n-methylformamide 248.76
    2-pentanol 58.72
    n-pentane 2.85
    1-propoxy-2-propanol 86.13
    1-methoxy-2-propyl acetate 77.31
    2-(2-methoxypropoxy) propanol 76.06
    mesitylene 20.9
    ε-caprolactone 201.52
    p-cymene 21.18
    epichlorohydrin 220.7
    1,1,1-trichloroethane 87.81
    2-aminoethanol 94.45
    morpholine-4-carbaldehyde 314.73
    sulfolane 403.79
    2,2,4-trimethylpentane 2.58
    2-methyltetrahydrofuran 131.81
    n-hexyl acetate 90.66
    isooctane 1.85
    2-(2-butoxyethoxy)ethanol 104.91
    sec-butyl acetate 37.66
    tert-butyl acetate 60.15
    decalin 4.64
    glycerin 117.01
    diglyme 146.14
    acrylic acid 121.35
    isopropyl myristate 41.19
    n-butyric acid 119.91
    acetyl acetate 72.34
    di(2-ethylhexyl) phthalate 45.1
    ethyl propionate 52.4
    nitromethane 284.69
    1,2-diethoxyethane 67.77
    benzonitrile 134.7
    trioctyl phosphate 36.71
    1-bromopropane 53.03
    gamma-valerolactone 404.31
    n-decanol 39.72
    triethyl phosphate 36.73
    4-methyl-2-pentanol 26.08
    propionitrile 114.76
    vinylene carbonate 180.79
    1,1,2-trichlorotrifluoroethane 172.91
    DMS 75.21
    cumene 17.56
    2-octanol 40.28
    2-hexanone 78.72
    octyl acetate 54.86
    limonene 29.24
    1,2-dimethoxyethane 150.49
    ethyl orthosilicate 31.86
    tributyl phosphate 40.22
    diacetone alcohol 102.24
    N,N-dimethylaniline 47.5
    acrylonitrile 179.96
    aniline 85.85
    1,3-propanediol 131.08
    bromobenzene 85.06
    dibromomethane 103.53
    1,1,2,2-tetrachloroethane 197.87
    2-methyl-cyclohexyl acetate 58.68
    tetrabutyl urea 60.93
    diisobutyl methanol 21.6
    2-phenylethanol 87.15
    styrene 35.82
    dioctyl adipate 56.84
    dimethyl sulfate 101.76
    ethyl butyrate 52.66
    methyl lactate 91.1
    butyl lactate 66.97
    diethyl carbonate 42.23
    propanediol butyl ether 96.8
    triethyl orthoformate 40.32
    p-tert-butyltoluene 20.69
    methyl 4-tert-butylbenzoate 83.61
    morpholine 228.88
    tert-butylamine 44.13
    n-dodecanol 30.41
    dimethoxymethane 153.67
    ethylene carbonate 137.53
    cyrene 102.78
    2-ethoxyethyl acetate 79.07
    2-ethylhexyl acetate 46.43
    1,2,4-trichlorobenzene 117.48
    4-methylpyridine 179.75
    dibutyl ether 36.77
    2,6-dimethyl-4-heptanol 21.6
    DEF 150.84
    dimethyl isosorbide 128.03
    tetrachloroethylene 111.44
    eugenol 95.65
    triacetin 87.53
    span 80 81.49
    1,4-butanediol 54.57
    1,1-dichloroethane 102.47
    2-methyl-1-pentanol 46.22
    methyl formate 172.85
    2-methyl-1-butanol 56.65
    n-decane 5.61
    butyronitrile 115.81
    3,7-dimethyl-1-octanol 38.94
    1-chlorooctane 27.6
    1-chlorotetradecane 13.44
    n-nonane 4.65
    undecane 4.65
    tert-butylcyclohexane 3.53
    cyclooctane 2.26
    cyclopentanol 108.87
    tetrahydropyran 141.59
    tert-amyl methyl ether 41.01
    2,5,8-trioxanonane 119.77
    1-hexene 12.29
    2-isopropoxyethanol 57.42
    2,2,2-trifluoroethanol 65.25
    methyl butyrate 82.38

    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