Potassium 1-S-((1E)-2-phenyl-N-(sulfonatooxy)ethanimidoyl)-1-thiohexopyranose

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  • Identifiers

    CAS number
    5115-71-9

    Molecular formula
    C14H18KNO9S2

    SMILES
    C1=CC=C(C=C1)C/C(=N\OS(=O)(=O)[O-])/SC2C(C(C(C(O2)CO)O)O)O.[K+]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 72.32%
    Savory 31.14%
    Meaty 27.98%
    Cooked 24.55%
    Sulfurous 20.84%
    Roasted 19.98%
    Bitter 14.32%
    Beefy 13.47%
    Cooling 13.31%
    Milky 13.14%

     

    Flavor
    Bitter 90.34%
    Odorless 28.28%
    Bland 26.6%
    Sweet-like 21.26%
    Cedarleaf 19.96%
    Nitrile 19.96%
    Gooseberry 18.93%
    Heather 18.72%
    Broom 18.6%
    Mild 18.54%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.94 (weak acid)

    Molecular weight
    447.5 g/mol

    Flash point

    • 217.89 ˚C est.

  • Synonyms

    • DTXSID40743984
    • Potassium 1-S-((1E)-2-phenyl-N-(sulfonatooxy)ethanimidoyl)-1-thiohexopyranose
    • Potassium 1-S-[(1E)-2-phenyl-N-(sulfonatooxy)ethanimidoyl]-1-thiohexopyranose
    • RefChem:1096518
    • DTXCID20694728
    • 5115-71-9
    • C14H18KNO9S2
    • potassium;[(E)-[2-phenyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate
    • GLUCOTROPAEOLIN POTASSIUM
    • UYCWNAZWHVREMO-GYVLLFFHSA-M
    • MSK40002
    • AKOS037514993
    • FG137532
    • G0397
    • potassium;[(E)-[2-phenyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-ethylidene]amino] sulfate
    • 5115-71-9

  • Applications

    Potassium 1-S-((1E)-2-phenyl-N-(sulfonatooxy)ethanimidoyl)-1-thiohexopyranose, CAS 5115-71-9, is primarily used as a glycosyl donor in oligosaccharide and glycopolymer synthesis, serving as a reactive carbohydrate intermediate that enables stereoselective glycosylation via an imidate-style leaving group. It also acts as a building block for carbohydrate-containing polymers and as a specialized reagent in pharmaceutical and chemical research for developing and executing defined sugar sequences. In addition, as a stable potassium salt it offers convenient handling for laboratory and pilot-scale glycosylation work, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.83
    methanol 21.23
    isopropanol 1.94
    water 3.37
    ethyl acetate 0.73
    n-propanol 2.56
    acetone 9.56
    n-butanol 1.29
    acetonitrile 2.2
    DMF 77.36
    toluene 0.31
    isobutanol 0.85
    1,4-dioxane 2.56
    methyl acetate 1.38
    THF 6.44
    2-butanone 2.53
    n-pentanol 0.63
    sec-butanol 1.06
    n-hexane 0.02
    ethylene glycol 22.74
    NMP 50.41
    cyclohexane 0.1
    DMSO 132.64
    n-butyl acetate 0.47
    n-octanol 0.72
    chloroform 0.35
    n-propyl acetate 0.47
    acetic acid 24.34
    dichloromethane 0.51
    cyclohexanone 3.66
    propylene glycol 14.42
    isopropyl acetate 0.54
    DMAc 56.27
    2-ethoxyethanol 11.99
    isopentanol 0.68
    n-heptane 0.07
    ethyl formate 2.02
    1,2-dichloroethane 0.65
    n-hexanol 0.72
    2-methoxyethanol 42.32
    isobutyl acetate 0.18
    tetrachloromethane 0.09
    n-pentyl acetate 0.7
    transcutol 18.7
    n-heptanol 0.96
    ethylbenzene 0.12
    MIBK 0.84
    2-propoxyethanol 8.35
    tert-butanol 1.41
    MTBE 0.29
    2-butoxyethanol 5.47
    propionic acid 3.87
    o-xylene 0.32
    formic acid 77.23
    diethyl ether 0.51
    m-xylene 0.24
    p-xylene 0.15
    chlorobenzene 0.17
    dimethyl carbonate 3.52
    n-octane 0.05
    formamide 100.09
    cyclopentanone 8.25
    2-pentanone 1.78
    anisole 0.54
    cyclopentyl methyl ether 1.2
    gamma-butyrolactone 9.36
    1-methoxy-2-propanol 19.54
    pyridine 2.85
    3-pentanone 1.2
    furfural 11.92
    n-dodecane 0.03
    diethylene glycol 20.18
    diisopropyl ether 0.12
    tert-amyl alcohol 0.9
    acetylacetone 5.25
    n-hexadecane 0.04
    acetophenone 1.28
    methyl propionate 1.87
    isopentyl acetate 0.39
    trichloroethylene 1.38
    n-nonanol 0.75
    cyclohexanol 1.07
    benzyl alcohol 1.48
    2-ethylhexanol 0.31
    isooctanol 0.53
    dipropyl ether 0.52
    1,2-dichlorobenzene 0.2
    ethyl lactate 2.53
    propylene carbonate 2.43
    n-methylformamide 31.15
    2-pentanol 0.55
    n-pentane 0.04
    1-propoxy-2-propanol 4.09
    1-methoxy-2-propyl acetate 2.04
    2-(2-methoxypropoxy) propanol 5.86
    mesitylene 0.17
    ε-caprolactone 2.65
    p-cymene 0.18
    epichlorohydrin 4.58
    1,1,1-trichloroethane 0.19
    2-aminoethanol 18.35
    morpholine-4-carbaldehyde 31.0
    sulfolane 29.27
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.33
    n-hexyl acetate 0.83
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 8.49
    sec-butyl acetate 0.23
    tert-butyl acetate 0.72
    decalin 0.02
    glycerin 46.27
    diglyme 13.69
    acrylic acid 9.0
    isopropyl myristate 0.35
    n-butyric acid 2.53
    acetyl acetate 0.93
    di(2-ethylhexyl) phthalate 0.87
    ethyl propionate 0.47
    nitromethane 31.51
    1,2-diethoxyethane 1.29
    benzonitrile 0.78
    trioctyl phosphate 0.67
    1-bromopropane 0.16
    gamma-valerolactone 18.41
    n-decanol 0.56
    triethyl phosphate 0.52
    4-methyl-2-pentanol 0.26
    propionitrile 0.94
    vinylene carbonate 2.71
    1,1,2-trichlorotrifluoroethane 17.93
    DMS 1.3
    cumene 0.09
    2-octanol 0.43
    2-hexanone 0.67
    octyl acetate 0.7
    limonene 0.28
    1,2-dimethoxyethane 7.57
    ethyl orthosilicate 0.42
    tributyl phosphate 0.57
    diacetone alcohol 4.6
    N,N-dimethylaniline 0.68
    acrylonitrile 2.75
    aniline 1.13
    1,3-propanediol 14.04
    bromobenzene 0.1
    dibromomethane 0.25
    1,1,2,2-tetrachloroethane 1.18
    2-methyl-cyclohexyl acetate 0.6
    tetrabutyl urea 1.68
    diisobutyl methanol 0.21
    2-phenylethanol 1.44
    styrene 0.15
    dioctyl adipate 0.94
    dimethyl sulfate 9.7
    ethyl butyrate 0.5
    methyl lactate 10.56
    butyl lactate 2.25
    diethyl carbonate 0.42
    propanediol butyl ether 7.37
    triethyl orthoformate 0.61
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 2.98
    morpholine 4.96
    tert-butylamine 0.38
    n-dodecanol 0.4
    dimethoxymethane 17.03
    ethylene carbonate 1.52
    cyrene 10.02
    2-ethoxyethyl acetate 1.65
    2-ethylhexyl acetate 0.26
    1,2,4-trichlorobenzene 0.39
    4-methylpyridine 1.36
    dibutyl ether 0.32
    2,6-dimethyl-4-heptanol 0.21
    DEF 4.74
    dimethyl isosorbide 8.29
    tetrachloroethylene 1.08
    eugenol 4.19
    triacetin 2.53
    span 80 5.03
    1,4-butanediol 4.39
    1,1-dichloroethane 0.22
    2-methyl-1-pentanol 0.36
    methyl formate 19.6
    2-methyl-1-butanol 0.67
    n-decane 0.06
    butyronitrile 0.64
    3,7-dimethyl-1-octanol 0.41
    1-chlorooctane 0.17
    1-chlorotetradecane 0.08
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.01
    cyclooctane 0.05
    cyclopentanol 1.98
    tetrahydropyran 1.01
    tert-amyl methyl ether 0.36
    2,5,8-trioxanonane 11.65
    1-hexene 0.06
    2-isopropoxyethanol 3.64
    2,2,2-trifluoroethanol 11.49
    methyl butyrate 0.73

    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