Glucoputranjivin

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  • Identifiers

    CAS number
    18432-16-1

    Molecular formula
    C10H19NO9S2

    SMILES
    CC(C)C(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 73.16%
    Savory 35.02%
    Meaty 33.37%
    Sulfurous 32.08%
    Roasted 29.11%
    Cooked 23.87%
    Onion 17.89%
    Beefy 14.31%
    Milky 13.56%
    Cooling 13.18%

     

    Flavor
    Bitter 88.75%
    Bland 28.58%
    Odorless 27.96%
    Sweet-like 21.44%
    Cedarleaf 20.14%
    Nitrile 19.36%
    Gooseberry 18.57%
    Bouillon 18.56%
    Parsley 18.41%
    Taco 18.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    7.34 (neutral)

    Molecular weight
    361.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1327°C

    Flash point

    • 218.85 ˚C est.

  • Synonyms

    • Glucoputranjivin
    • 18432-16-1
    • 1-Methylethyl glucosinolate
    • DTXSID00331588
    • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-methyl-N-sulfooxypropanimidothioate
    • CHEBI:79331
    • ((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) 2-methyl-N-sulfooxypropanimidothioate
    • RefChem:922281
    • DTXCID00282682
    • ((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (1Z)-2-methyl-N-sulfooxypropanimidothioate
    • orb3024855
    • SCHEMBL30484205
    • NS00094608
    • C08418
    • 1-S-[2-methyl-N-(sulfooxy)propanimidoyl]-1-thio-beta-D-glucopyranose
    • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 2-methyl-N-sulfooxy-propanimidothioate
    • 2-methyl-N-sulfoxy-thiopropionimidic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
    • 18432-16-1

  • Applications

    Glucoputranjivin is primarily used as an intermediate in glycoside chemistry and organic synthesis. It is used in research settings to study enzymatic or acid hydrolysis that liberates the aglycone, enabling exploration of aroma- or flavor-relevant fragments. As a glucoside, it may be evaluated for potential applications in aroma or flavor release, or as a precursor in the synthesis of more complex fragrance or flavor molecules. It can also serve as a building block in pharmaceutical or agrochemical research where glycoside moieties are manipulated. In polymer or materials science, it can function as a functionalized glycoside monomer or crosslinking precursor under specific conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.24
    methanol 5.63
    isopropanol 0.52
    water 41.09
    ethyl acetate 0.16
    n-propanol 0.64
    acetone 0.79
    n-butanol 0.44
    acetonitrile 0.36
    DMF 17.6
    toluene 0.21
    isobutanol 0.3
    1,4-dioxane 0.7
    methyl acetate 0.24
    THF 1.47
    2-butanone 0.37
    n-pentanol 0.34
    sec-butanol 0.38
    n-hexane 0.03
    ethylene glycol 16.09
    NMP 44.59
    cyclohexane 0.17
    DMSO 64.97
    n-butyl acetate 0.34
    n-octanol 0.31
    chloroform 0.1
    n-propyl acetate 0.19
    acetic acid 7.56
    dichloromethane 0.15
    cyclohexanone 1.81
    propylene glycol 9.24
    isopropyl acetate 0.16
    DMAc 17.22
    2-ethoxyethanol 4.9
    isopentanol 0.33
    n-heptane 0.12
    ethyl formate 0.49
    1,2-dichloroethane 0.21
    n-hexanol 0.58
    2-methoxyethanol 13.34
    isobutyl acetate 0.11
    tetrachloromethane 0.05
    n-pentyl acetate 0.32
    transcutol 6.14
    n-heptanol 0.6
    ethylbenzene 0.15
    MIBK 0.3
    2-propoxyethanol 4.4
    tert-butanol 0.6
    MTBE 0.09
    2-butoxyethanol 2.98
    propionic acid 1.68
    o-xylene 0.34
    formic acid 61.01
    diethyl ether 0.11
    m-xylene 0.24
    p-xylene 0.2
    chlorobenzene 0.1
    dimethyl carbonate 0.87
    n-octane 0.06
    formamide 56.8
    cyclopentanone 2.53
    2-pentanone 0.37
    anisole 0.25
    cyclopentyl methyl ether 0.64
    gamma-butyrolactone 3.63
    1-methoxy-2-propanol 6.09
    pyridine 0.98
    3-pentanone 0.37
    furfural 6.35
    n-dodecane 0.03
    diethylene glycol 16.02
    diisopropyl ether 0.06
    tert-amyl alcohol 0.46
    acetylacetone 1.21
    n-hexadecane 0.04
    acetophenone 0.83
    methyl propionate 0.44
    isopentyl acetate 0.32
    trichloroethylene 0.33
    n-nonanol 0.34
    cyclohexanol 0.95
    benzyl alcohol 1.02
    2-ethylhexanol 0.33
    isooctanol 0.4
    dipropyl ether 0.3
    1,2-dichlorobenzene 0.15
    ethyl lactate 1.37
    propylene carbonate 1.35
    n-methylformamide 8.04
    2-pentanol 0.27
    n-pentane 0.05
    1-propoxy-2-propanol 2.66
    1-methoxy-2-propyl acetate 1.11
    2-(2-methoxypropoxy) propanol 3.58
    mesitylene 0.2
    ε-caprolactone 1.61
    p-cymene 0.27
    epichlorohydrin 1.05
    1,1,1-trichloroethane 0.06
    2-aminoethanol 10.42
    morpholine-4-carbaldehyde 17.41
    sulfolane 23.78
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 0.49
    n-hexyl acetate 0.34
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.43
    sec-butyl acetate 0.11
    tert-butyl acetate 0.3
    decalin 0.04
    glycerin 40.18
    diglyme 5.93
    acrylic acid 4.34
    isopropyl myristate 0.18
    n-butyric acid 0.98
    acetyl acetate 0.23
    di(2-ethylhexyl) phthalate 0.59
    ethyl propionate 0.18
    nitromethane 5.87
    1,2-diethoxyethane 0.46
    benzonitrile 0.47
    trioctyl phosphate 0.46
    1-bromopropane 0.06
    gamma-valerolactone 7.48
    n-decanol 0.29
    triethyl phosphate 0.48
    4-methyl-2-pentanol 0.17
    propionitrile 0.23
    vinylene carbonate 1.33
    1,1,2-trichlorotrifluoroethane 9.12
    DMS 0.58
    cumene 0.13
    2-octanol 0.27
    2-hexanone 0.25
    octyl acetate 0.3
    limonene 0.37
    1,2-dimethoxyethane 2.06
    ethyl orthosilicate 0.39
    tributyl phosphate 0.37
    diacetone alcohol 2.18
    N,N-dimethylaniline 0.55
    acrylonitrile 0.68
    aniline 0.6
    1,3-propanediol 6.18
    bromobenzene 0.07
    dibromomethane 0.1
    1,1,2,2-tetrachloroethane 0.39
    2-methyl-cyclohexyl acetate 0.56
    tetrabutyl urea 1.13
    diisobutyl methanol 0.26
    2-phenylethanol 1.14
    styrene 0.13
    dioctyl adipate 0.44
    dimethyl sulfate 4.04
    ethyl butyrate 0.32
    methyl lactate 4.08
    butyl lactate 1.35
    diethyl carbonate 0.26
    propanediol butyl ether 4.35
    triethyl orthoformate 0.46
    p-tert-butyltoluene 0.28
    methyl 4-tert-butylbenzoate 1.98
    morpholine 1.42
    tert-butylamine 0.22
    n-dodecanol 0.22
    dimethoxymethane 2.93
    ethylene carbonate 0.81
    cyrene 10.68
    2-ethoxyethyl acetate 0.6
    2-ethylhexyl acetate 0.25
    1,2,4-trichlorobenzene 0.26
    4-methylpyridine 0.57
    dibutyl ether 0.14
    2,6-dimethyl-4-heptanol 0.26
    DEF 1.5
    dimethyl isosorbide 6.34
    tetrachloroethylene 0.44
    eugenol 2.91
    triacetin 1.1
    span 80 3.37
    1,4-butanediol 3.06
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 0.26
    methyl formate 4.44
    2-methyl-1-butanol 0.31
    n-decane 0.05
    butyronitrile 0.19
    3,7-dimethyl-1-octanol 0.26
    1-chlorooctane 0.1
    1-chlorotetradecane 0.06
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.02
    cyclooctane 0.1
    cyclopentanol 1.23
    tetrahydropyran 0.34
    tert-amyl methyl ether 0.16
    2,5,8-trioxanonane 6.57
    1-hexene 0.06
    2-isopropoxyethanol 1.74
    2,2,2-trifluoroethanol 5.82
    methyl butyrate 0.32

    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