2,3-Dihydro-3-oxobenzisosulfonazole sodium salt

  • Identifiers

    Molecular formula
    C7H6NNaO4S

    SMILES
    C1=CC=C2C(=C1)C(=O)N=S2(=O)[O-].O.[Na+]

  • Odor profile

    Fragrance
    Odorless 82.71%
    Burnt 19.17%
    Bitter 18.47%
    Cooked 17.28%
    Savory 15.35%
    Roasted 14.35%
    Pungent 13.81%
    Nutty 13.48%
    Popcorn 11.68%
    Aromatic 11.32%

     

    Flavor
    Bitter 79.45%
    Odorless 27.89%
    Nitrile 21.48%
    Taco 20.28%
    Bread crust 20.06%
    Roasted peanuts 19.63%
    Very strong 19.6%
    Indole 19.35%
    Urine 18.83%
    Lovage 18.8%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    5.46 (weak acid)

    Molecular weight
    223.18 g/mol

    Flash point

    • 150.86 ˚C est.

  • Synonyms

    • SCHEMBL1532528
    • AKOS015915180
    • 2,3-Dihydro-3-oxobenzisosulfonazole sodium salt
  • Applications

    2,3-Dihydro-3-oxobenzisosulfonazole sodium salt is primarily used as an organic synthesis intermediate and building block in chemical manufacturing. It is commonly evaluated as a precursor for the preparation of heterocyclic compounds and related specialty chemicals, and it may be used in formulations where the salt form improves water solubility or processing. In research and development settings, it is often employed in polymer and coating formulation studies as a functional additive or linking component. It can also serve as a starting point in dye and pigment synthesis workflows. Depending on the formulation and regulatory framework, it may see exploratory use in electronics, adhesives, or cleaning applications, but such uses are highly formulation-specific and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.89
    methanol 80.71
    isopropanol 31.02
    water 0.91
    ethyl acetate 54.04
    n-propanol 29.61
    acetone 134.7
    n-butanol 32.75
    acetonitrile 93.42
    DMF 627.97
    toluene 10.16
    isobutanol 17.67
    1,4-dioxane 100.52
    methyl acetate 75.0
    THF 183.47
    2-butanone 85.95
    n-pentanol 24.28
    sec-butanol 28.59
    n-hexane 0.76
    ethylene glycol 53.25
    NMP 262.59
    cyclohexane 1.21
    DMSO 434.2
    n-butyl acetate 39.29
    n-octanol 47.15
    chloroform 40.67
    n-propyl acetate 33.65
    acetic acid 28.72
    dichloromethane 42.99
    cyclohexanone 85.98
    propylene glycol 35.2
    isopropyl acetate 38.34
    DMAc 291.46
    2-ethoxyethanol 109.57
    isopentanol 26.25
    n-heptane 1.6
    ethyl formate 65.53
    1,2-dichloroethane 56.3
    n-hexanol 31.2
    2-methoxyethanol 309.35
    isobutyl acetate 15.56
    tetrachloromethane 5.25
    n-pentyl acetate 42.08
    transcutol 565.08
    n-heptanol 26.46
    ethylbenzene 8.7
    MIBK 46.99
    2-propoxyethanol 131.17
    tert-butanol 36.34
    MTBE 18.87
    2-butoxyethanol 79.66
    propionic acid 27.45
    o-xylene 10.56
    formic acid 47.4
    diethyl ether 32.58
    m-xylene 11.19
    p-xylene 9.79
    chlorobenzene 24.35
    dimethyl carbonate 69.26
    n-octane 1.49
    formamide 149.06
    cyclopentanone 134.97
    2-pentanone 78.43
    anisole 44.76
    cyclopentyl methyl ether 45.9
    gamma-butyrolactone 135.68
    1-methoxy-2-propanol 191.53
    pyridine 63.84
    3-pentanone 51.05
    furfural 177.44
    n-dodecane 2.65
    diethylene glycol 174.98
    diisopropyl ether 9.71
    tert-amyl alcohol 28.95
    acetylacetone 123.21
    n-hexadecane 3.1
    acetophenone 56.9
    methyl propionate 71.1
    isopentyl acetate 29.8
    trichloroethylene 86.47
    n-nonanol 43.12
    cyclohexanol 26.07
    benzyl alcohol 41.06
    2-ethylhexanol 18.57
    isooctanol 18.72
    dipropyl ether 20.47
    1,2-dichlorobenzene 34.36
    ethyl lactate 50.57
    propylene carbonate 61.61
    n-methylformamide 232.88
    2-pentanol 25.49
    n-pentane 0.96
    1-propoxy-2-propanol 81.26
    1-methoxy-2-propyl acetate 71.66
    2-(2-methoxypropoxy) propanol 112.02
    mesitylene 8.99
    ε-caprolactone 69.04
    p-cymene 10.78
    epichlorohydrin 167.56
    1,1,1-trichloroethane 26.06
    2-aminoethanol 51.82
    morpholine-4-carbaldehyde 298.67
    sulfolane 194.55
    2,2,4-trimethylpentane 0.71
    2-methyltetrahydrofuran 58.26
    n-hexyl acetate 73.99
    isooctane 0.71
    2-(2-butoxyethoxy)ethanol 184.25
    sec-butyl acetate 21.45
    tert-butyl acetate 41.84
    decalin 1.44
    glycerin 96.07
    diglyme 248.72
    acrylic acid 34.03
    isopropyl myristate 34.85
    n-butyric acid 38.09
    acetyl acetate 39.54
    di(2-ethylhexyl) phthalate 30.84
    ethyl propionate 38.34
    nitromethane 220.1
    1,2-diethoxyethane 87.49
    benzonitrile 58.54
    trioctyl phosphate 27.37
    1-bromopropane 17.68
    gamma-valerolactone 196.24
    n-decanol 34.32
    triethyl phosphate 22.1
    4-methyl-2-pentanol 16.26
    propionitrile 54.6
    vinylene carbonate 61.57
    1,1,2-trichlorotrifluoroethane 125.56
    DMS 67.15
    cumene 7.41
    2-octanol 26.45
    2-hexanone 46.78
    octyl acetate 45.86
    limonene 12.84
    1,2-dimethoxyethane 178.41
    ethyl orthosilicate 17.91
    tributyl phosphate 32.31
    diacetone alcohol 91.14
    N,N-dimethylaniline 34.87
    acrylonitrile 108.52
    aniline 27.55
    1,3-propanediol 84.4
    bromobenzene 20.73
    dibromomethane 25.05
    1,1,2,2-tetrachloroethane 79.77
    2-methyl-cyclohexyl acetate 25.4
    tetrabutyl urea 57.76
    diisobutyl methanol 14.27
    2-phenylethanol 50.7
    styrene 10.81
    dioctyl adipate 41.79
    dimethyl sulfate 121.7
    ethyl butyrate 31.33
    methyl lactate 109.51
    butyl lactate 56.33
    diethyl carbonate 23.18
    propanediol butyl ether 127.46
    triethyl orthoformate 23.87
    p-tert-butyltoluene 10.5
    methyl 4-tert-butylbenzoate 58.33
    morpholine 123.41
    tert-butylamine 14.78
    n-dodecanol 26.56
    dimethoxymethane 244.53
    ethylene carbonate 48.77
    cyrene 78.1
    2-ethoxyethyl acetate 70.62
    2-ethylhexyl acetate 22.62
    1,2,4-trichlorobenzene 38.27
    4-methylpyridine 63.68
    dibutyl ether 35.14
    2,6-dimethyl-4-heptanol 14.27
    DEF 132.96
    dimethyl isosorbide 141.54
    tetrachloroethylene 44.74
    eugenol 94.02
    triacetin 69.96
    span 80 73.65
    1,4-butanediol 34.51
    1,1-dichloroethane 29.99
    2-methyl-1-pentanol 19.02
    methyl formate 174.77
    2-methyl-1-butanol 21.98
    n-decane 3.58
    butyronitrile 54.75
    3,7-dimethyl-1-octanol 32.66
    1-chlorooctane 19.13
    1-chlorotetradecane 9.8
    n-nonane 2.91
    undecane 3.08
    tert-butylcyclohexane 1.12
    cyclooctane 0.8
    cyclopentanol 36.44
    tetrahydropyran 40.43
    tert-amyl methyl ether 21.94
    2,5,8-trioxanonane 196.51
    1-hexene 4.3
    2-isopropoxyethanol 60.16
    2,2,2-trifluoroethanol 30.03
    methyl butyrate 50.81

    Scent© AI

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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