Glucohesperalin

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  • Identifiers

    CAS number
    33049-17-1

    Molecular formula
    C14H27NO10S3

    SMILES
    CS(=O)CCCCCC/C(=N\OS(=O)(=O)O)/SC1C(C(C(C(O1)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 56.39%
    Meaty 45.56%
    Savory 40.89%
    Roasted 35.28%
    Cooked 28.21%
    Sulfurous 27.49%
    Onion 20.15%
    Beefy 18.8%
    Fatty 15.64%
    Citrus 14.84%

     

    Flavor
    Bitter 81.9%
    Bland 28.91%
    Odorless 25.92%
    Sweet-like 21.18%
    Cedarleaf 20.77%
    Nitrile 19.91%
    Mild 19.49%
    Gooseberry 19.42%
    Parsley 19.32%
    Bouillon 19.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.2

    pKa est.
    6.98 (neutral)

    Molecular weight
    465.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1482°C

    Flash point

    • 283.84 ˚C est.

  • Synonyms

    • Glucohesperalin
    • [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-7-methylsulfinyl-N-sulfooxyheptanimidothioate
    • 33049-17-1
    • (Methylsulfinyl)hexyl glucosinolate
    • glucohesperin
    • SCHEMBL30484220
    • 6-(Methylsulfinyl)hexyl glucosinolate
    • 33049-17-1

  • Applications

    Glucohesperalin, CAS 33049-17-1, is a glucose glycoside derivative of hesperetin. In practical and industrial contexts, it is commonly evaluated as an intermediate in pharmaceutical synthesis and as an antioxidant/stabilizer additive for polymers and coatings. It may also be considered for cosmetics and personal care as a bioactive glycoside or carrier, and as a fragrance or flavor intermediate in fragrance and flavor applications. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.66
    methanol 9.9
    isopropanol 0.48
    water 31.54
    ethyl acetate 0.23
    n-propanol 0.82
    acetone 1.73
    n-butanol 0.48
    acetonitrile 0.51
    DMF 25.8
    toluene 0.18
    isobutanol 0.34
    1,4-dioxane 0.76
    methyl acetate 0.36
    THF 1.78
    2-butanone 0.58
    n-pentanol 0.32
    sec-butanol 0.33
    n-hexane 0.02
    ethylene glycol 12.91
    NMP 38.07
    cyclohexane 0.11
    DMSO 65.85
    n-butyl acetate 0.23
    n-octanol 0.31
    chloroform 0.27
    n-propyl acetate 0.22
    acetic acid 15.2
    dichloromethane 0.37
    cyclohexanone 2.03
    propylene glycol 7.11
    isopropyl acetate 0.18
    DMAc 18.83
    2-ethoxyethanol 4.05
    isopentanol 0.31
    n-heptane 0.05
    ethyl formate 0.82
    1,2-dichloroethane 0.41
    n-hexanol 0.37
    2-methoxyethanol 12.84
    isobutyl acetate 0.11
    tetrachloromethane 0.1
    n-pentyl acetate 0.32
    transcutol 6.87
    n-heptanol 0.48
    ethylbenzene 0.1
    MIBK 0.35
    2-propoxyethanol 3.15
    tert-butanol 0.41
    MTBE 0.08
    2-butoxyethanol 2.34
    propionic acid 2.12
    o-xylene 0.22
    formic acid 75.1
    diethyl ether 0.14
    m-xylene 0.16
    p-xylene 0.12
    chlorobenzene 0.11
    dimethyl carbonate 1.29
    n-octane 0.03
    formamide 70.14
    cyclopentanone 3.24
    2-pentanone 0.56
    anisole 0.23
    cyclopentyl methyl ether 0.64
    gamma-butyrolactone 4.16
    1-methoxy-2-propanol 5.18
    pyridine 1.05
    3-pentanone 0.46
    furfural 6.8
    n-dodecane 0.02
    diethylene glycol 10.18
    diisopropyl ether 0.05
    tert-amyl alcohol 0.32
    acetylacetone 1.73
    n-hexadecane 0.02
    acetophenone 0.73
    methyl propionate 0.62
    isopentyl acetate 0.21
    trichloroethylene 0.77
    n-nonanol 0.33
    cyclohexanol 0.68
    benzyl alcohol 0.84
    2-ethylhexanol 0.2
    isooctanol 0.28
    dipropyl ether 0.2
    1,2-dichlorobenzene 0.15
    ethyl lactate 1.23
    propylene carbonate 1.43
    n-methylformamide 12.16
    2-pentanol 0.21
    n-pentane 0.03
    1-propoxy-2-propanol 1.63
    1-methoxy-2-propyl acetate 0.83
    2-(2-methoxypropoxy) propanol 2.67
    mesitylene 0.12
    ε-caprolactone 1.61
    p-cymene 0.12
    epichlorohydrin 1.69
    1,1,1-trichloroethane 0.13
    2-aminoethanol 9.87
    morpholine-4-carbaldehyde 15.21
    sulfolane 22.87
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.49
    n-hexyl acetate 0.35
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 3.62
    sec-butyl acetate 0.12
    tert-butyl acetate 0.25
    decalin 0.03
    glycerin 31.04
    diglyme 5.11
    acrylic acid 5.74
    isopropyl myristate 0.14
    n-butyric acid 1.35
    acetyl acetate 0.38
    di(2-ethylhexyl) phthalate 0.47
    ethyl propionate 0.23
    nitromethane 11.03
    1,2-diethoxyethane 0.4
    benzonitrile 0.44
    trioctyl phosphate 0.36
    1-bromopropane 0.09
    gamma-valerolactone 8.27
    n-decanol 0.24
    triethyl phosphate 0.32
    4-methyl-2-pentanol 0.13
    propionitrile 0.29
    vinylene carbonate 1.72
    1,1,2-trichlorotrifluoroethane 11.07
    DMS 0.61
    cumene 0.09
    2-octanol 0.19
    2-hexanone 0.29
    octyl acetate 0.26
    limonene 0.19
    1,2-dimethoxyethane 2.04
    ethyl orthosilicate 0.25
    tributyl phosphate 0.33
    diacetone alcohol 1.68
    N,N-dimethylaniline 0.4
    acrylonitrile 0.91
    aniline 0.57
    1,3-propanediol 5.48
    bromobenzene 0.08
    dibromomethane 0.2
    1,1,2,2-tetrachloroethane 0.73
    2-methyl-cyclohexyl acetate 0.38
    tetrabutyl urea 0.85
    diisobutyl methanol 0.13
    2-phenylethanol 0.72
    styrene 0.1
    dioctyl adipate 0.4
    dimethyl sulfate 5.26
    ethyl butyrate 0.24
    methyl lactate 4.31
    butyl lactate 1.23
    diethyl carbonate 0.21
    propanediol butyl ether 3.71
    triethyl orthoformate 0.31
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 1.51
    morpholine 1.54
    tert-butylamine 0.14
    n-dodecanol 0.17
    dimethoxymethane 4.28
    ethylene carbonate 0.99
    cyrene 7.39
    2-ethoxyethyl acetate 0.63
    2-ethylhexyl acetate 0.16
    1,2,4-trichlorobenzene 0.26
    4-methylpyridine 0.57
    dibutyl ether 0.13
    2,6-dimethyl-4-heptanol 0.13
    DEF 1.84
    dimethyl isosorbide 4.55
    tetrachloroethylene 0.77
    eugenol 2.29
    triacetin 1.13
    span 80 2.72
    1,4-butanediol 2.18
    1,1-dichloroethane 0.12
    2-methyl-1-pentanol 0.23
    methyl formate 7.17
    2-methyl-1-butanol 0.31
    n-decane 0.04
    butyronitrile 0.22
    3,7-dimethyl-1-octanol 0.2
    1-chlorooctane 0.09
    1-chlorotetradecane 0.04
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.05
    cyclopentanol 1.07
    tetrahydropyran 0.39
    tert-amyl methyl ether 0.13
    2,5,8-trioxanonane 5.12
    1-hexene 0.05
    2-isopropoxyethanol 1.41
    2,2,2-trifluoroethanol 8.81
    methyl butyrate 0.38

    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