Glucosylisomaltol

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  • Identifiers

    CAS number
    85559-61-1

    Molecular formula
    C12H16O8

    SMILES
    CC(=O)C1=C(C=CO1)OC2C(C(C(C(O2)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 63.64%
    Caramellic 38.54%
    Sweet 36.41%
    Vanilla 29.1%
    Milky 27.09%
    Creamy 22.92%
    Burnt 21.75%
    Savory 21.67%
    Buttery 21.06%
    Dairy 17.45%

     

    Flavor
    Bitter 59.6%
    Odorless 36.41%
    Sweet 33.23%
    Sweet-like 28.36%
    Bland 27.63%
    Very mild 24.28%
    Cauliflower 21.0%
    Fenugreek 20.87%
    Very slight 20.83%
    Eugenol 20.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.2

    pKa est.
    5.82 (weak acid)

    Molecular weight
    288.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1289°C

    Flash point

    • 230.81 ˚C est.

  • Synonyms

    • Glucosylisomaltol
    • 1-(3-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)furan-2-yl)ethan-1-one
    • 1-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furan-2-yl)ethan-1-one
    • RefChem:143647
    • Ethanone, 1-[3-(a-D-glucopyranosyloxy)-2-furanyl]-
    • 85559-61-1
    • 1-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuran-2-yl]ethanone
    • 3-O-a-D-Glucosyl Isomaltol
    • SCHEMBL14594226
    • CHEBI:168818
    • 1-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyuran-2-yl]ethanone
    • 1-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-furyl]ethanone
    • 85559-61-1

  • Applications

    Glucosylisomaltol (CAS 85559-61-1) is a glycoside form of isomaltol that can release isomaltol upon hydrolysis, making it a potential aroma precursor. In practice, it is commonly evaluated for use in fragrance formulations as an odorant source and precursor; in flavor applications as a scent-modifying intermediate; in cosmetics and personal care as a latent fragrance ingredient; and in cleaning and household products as a fragrance additive. It may also serve as an industrial intermediate in the manufacture of isomaltol glycosides or related aroma compounds, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.61
    methanol 55.44
    isopropanol 4.41
    water 69.04
    ethyl acetate 0.77
    n-propanol 4.83
    acetone 2.72
    n-butanol 3.71
    acetonitrile 1.26
    DMF 367.71
    toluene 0.63
    isobutanol 2.33
    1,4-dioxane 9.67
    methyl acetate 1.54
    THF 12.95
    2-butanone 1.92
    n-pentanol 1.7
    sec-butanol 3.14
    n-hexane 0.09
    ethylene glycol 108.01
    NMP 254.52
    cyclohexane 0.62
    DMSO 759.21
    n-butyl acetate 1.02
    n-octanol 2.83
    chloroform 0.34
    n-propyl acetate 0.85
    acetic acid 60.16
    dichloromethane 0.48
    cyclohexanone 8.97
    propylene glycol 61.8
    isopropyl acetate 0.8
    DMAc 239.6
    2-ethoxyethanol 40.02
    isopentanol 3.0
    n-heptane 0.4
    ethyl formate 2.79
    1,2-dichloroethane 0.78
    n-hexanol 2.23
    2-methoxyethanol 121.79
    isobutyl acetate 0.48
    tetrachloromethane 0.15
    n-pentyl acetate 1.53
    transcutol 58.02
    n-heptanol 3.23
    ethylbenzene 0.39
    MIBK 1.72
    2-propoxyethanol 21.4
    tert-butanol 6.44
    MTBE 1.27
    2-butoxyethanol 14.17
    propionic acid 9.59
    o-xylene 1.07
    formic acid 462.6
    diethyl ether 0.92
    m-xylene 0.75
    p-xylene 0.47
    chlorobenzene 0.31
    dimethyl carbonate 8.22
    n-octane 0.24
    formamide 410.33
    cyclopentanone 12.78
    2-pentanone 1.58
    anisole 1.78
    cyclopentyl methyl ether 4.78
    gamma-butyrolactone 22.83
    1-methoxy-2-propanol 62.9
    pyridine 5.06
    3-pentanone 1.73
    furfural 30.49
    n-dodecane 0.17
    diethylene glycol 65.22
    diisopropyl ether 0.42
    tert-amyl alcohol 5.66
    acetylacetone 5.46
    n-hexadecane 0.19
    acetophenone 3.85
    methyl propionate 3.35
    isopentyl acetate 1.22
    trichloroethylene 1.3
    n-nonanol 2.87
    cyclohexanol 6.9
    benzyl alcohol 5.04
    2-ethylhexanol 1.55
    isooctanol 2.57
    dipropyl ether 1.82
    1,2-dichlorobenzene 0.54
    ethyl lactate 7.77
    propylene carbonate 8.15
    n-methylformamide 99.68
    2-pentanol 1.92
    n-pentane 0.18
    1-propoxy-2-propanol 12.52
    1-methoxy-2-propyl acetate 5.64
    2-(2-methoxypropoxy) propanol 20.43
    mesitylene 0.64
    ε-caprolactone 10.41
    p-cymene 0.76
    epichlorohydrin 8.77
    1,1,1-trichloroethane 0.2
    2-aminoethanol 76.12
    morpholine-4-carbaldehyde 135.91
    sulfolane 128.06
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 4.35
    n-hexyl acetate 2.38
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 24.76
    sec-butyl acetate 0.54
    tert-butyl acetate 1.89
    decalin 0.17
    glycerin 216.13
    diglyme 43.2
    acrylic acid 24.29
    isopropyl myristate 1.25
    n-butyric acid 5.94
    acetyl acetate 1.26
    di(2-ethylhexyl) phthalate 3.15
    ethyl propionate 1.04
    nitromethane 49.22
    1,2-diethoxyethane 3.78
    benzonitrile 1.69
    trioctyl phosphate 2.56
    1-bromopropane 0.29
    gamma-valerolactone 46.6
    n-decanol 2.26
    triethyl phosphate 2.51
    4-methyl-2-pentanol 1.48
    propionitrile 1.0
    vinylene carbonate 7.94
    1,1,2-trichlorotrifluoroethane 47.99
    DMS 3.65
    cumene 0.37
    2-octanol 1.81
    2-hexanone 1.05
    octyl acetate 1.99
    limonene 1.4
    1,2-dimethoxyethane 26.37
    ethyl orthosilicate 2.11
    tributyl phosphate 2.21
    diacetone alcohol 13.46
    N,N-dimethylaniline 3.02
    acrylonitrile 3.14
    aniline 2.8
    1,3-propanediol 55.37
    bromobenzene 0.21
    dibromomethane 0.28
    1,1,2,2-tetrachloroethane 1.7
    2-methyl-cyclohexyl acetate 2.28
    tetrabutyl urea 5.51
    diisobutyl methanol 1.37
    2-phenylethanol 3.86
    styrene 0.35
    dioctyl adipate 3.2
    dimethyl sulfate 36.56
    ethyl butyrate 1.53
    methyl lactate 32.36
    butyl lactate 5.44
    diethyl carbonate 1.32
    propanediol butyl ether 20.98
    triethyl orthoformate 2.47
    p-tert-butyltoluene 0.78
    methyl 4-tert-butylbenzoate 9.2
    morpholine 21.35
    tert-butylamine 2.07
    n-dodecanol 1.71
    dimethoxymethane 43.01
    ethylene carbonate 5.08
    cyrene 37.26
    2-ethoxyethyl acetate 3.52
    2-ethylhexyl acetate 0.93
    1,2,4-trichlorobenzene 0.99
    4-methylpyridine 3.21
    dibutyl ether 1.3
    2,6-dimethyl-4-heptanol 1.37
    DEF 18.06
    dimethyl isosorbide 25.42
    tetrachloroethylene 1.57
    eugenol 10.88
    triacetin 7.13
    span 80 14.96
    1,4-butanediol 20.59
    1,1-dichloroethane 0.18
    2-methyl-1-pentanol 1.78
    methyl formate 41.74
    2-methyl-1-butanol 2.95
    n-decane 0.29
    butyronitrile 0.82
    3,7-dimethyl-1-octanol 2.22
    1-chlorooctane 0.63
    1-chlorotetradecane 0.35
    n-nonane 0.27
    undecane 0.22
    tert-butylcyclohexane 0.1
    cyclooctane 0.31
    cyclopentanol 7.25
    tetrahydropyran 3.54
    tert-amyl methyl ether 2.07
    2,5,8-trioxanonane 37.88
    1-hexene 0.19
    2-isopropoxyethanol 12.99
    2,2,2-trifluoroethanol 38.05
    methyl butyrate 1.82

    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