3-Methylbutyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

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  • Identifiers

    CAS number
    178275-89-3

    Molecular formula
    C17H32O11

    SMILES
    CC(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O

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  • Odor profile

    Fragrance
    Odorless 67.35%
    Sweet 35.73%
    Alcoholic 27.78%
    Cooling 22.63%
    Milky 20.28%
    Mint 18.93%
    Caramellic 18.59%
    Woody 17.99%
    Vanilla 17.89%
    Malty 17.52%

     

    Flavor
    Sweet 65.58%
    Odorless 45.04%
    Bitter 42.27%
    Sweet-like 30.4%
    Fatty 26.87%
    Cauliflower 22.47%
    Very slight 21.94%
    Mentholic 21.36%
    Soup 20.73%
    Alkaline 20.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.5

    pKa est.
    5.19 (weak acid)

    Molecular weight
    412.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2567°C

    Flash point

    • 224.47 ˚C est.

  • Synonyms

    • DTXSID001200005
    • 3-Methylbutyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
    • 3-Methylbutyl 6-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranoside
    • 178275-89-3
    • 178275-89-3

  • Applications

    3-Methylbutyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside (CAS 178275-89-3) is a glycosylated aroma precursor commonly evaluated for fragrance and flavor applications. In perfumery and cosmetics, it can act as a fragrance carrier and slow-release precursor that liberates isoamyl-type fruity notes upon hydrolysis. In flavor formulation, it may be used as a glycosylated aroma precursor that releases banana-like notes after enzymatic or acidic hydrolysis. In household detergents and cleaners, it can serve as a fragrance-release additive providing sustained aroma in products. In industrial manufacturing and coatings, it may be considered as an aroma-delivery modifier in polymer or coating systems, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.04
    methanol 15.58
    isopropanol 1.03
    water 94.3
    ethyl acetate 0.83
    n-propanol 2.0
    acetone 1.37
    n-butanol 1.85
    acetonitrile 0.75
    DMF 20.8
    toluene 0.37
    isobutanol 0.81
    1,4-dioxane 3.04
    methyl acetate 0.71
    THF 3.51
    2-butanone 1.01
    n-pentanol 0.82
    sec-butanol 1.0
    n-hexane 0.05
    ethylene glycol 25.6
    NMP 43.73
    cyclohexane 0.29
    DMSO 156.66
    n-butyl acetate 0.42
    n-octanol 0.97
    chloroform 0.59
    n-propyl acetate 0.36
    acetic acid 33.71
    dichloromethane 0.68
    cyclohexanone 3.62
    propylene glycol 14.23
    isopropyl acetate 0.6
    DMAc 25.16
    2-ethoxyethanol 9.76
    isopentanol 0.97
    n-heptane 0.18
    ethyl formate 1.23
    1,2-dichloroethane 0.74
    n-hexanol 0.91
    2-methoxyethanol 28.25
    isobutyl acetate 0.2
    tetrachloromethane 0.24
    n-pentyl acetate 0.77
    transcutol 23.73
    n-heptanol 1.29
    ethylbenzene 0.18
    MIBK 0.67
    2-propoxyethanol 6.77
    tert-butanol 0.84
    MTBE 0.29
    2-butoxyethanol 5.85
    propionic acid 4.84
    o-xylene 0.51
    formic acid 157.74
    diethyl ether 0.52
    m-xylene 0.4
    p-xylene 0.19
    chlorobenzene 0.2
    dimethyl carbonate 2.37
    n-octane 0.12
    formamide 94.29
    cyclopentanone 4.42
    2-pentanone 1.16
    anisole 0.4
    cyclopentyl methyl ether 1.95
    gamma-butyrolactone 7.32
    1-methoxy-2-propanol 12.33
    pyridine 1.8
    3-pentanone 1.12
    furfural 8.79
    n-dodecane 0.06
    diethylene glycol 19.86
    diisopropyl ether 0.21
    tert-amyl alcohol 1.02
    acetylacetone 3.01
    n-hexadecane 0.07
    acetophenone 1.11
    methyl propionate 1.74
    isopentyl acetate 0.44
    trichloroethylene 1.26
    n-nonanol 0.98
    cyclohexanol 2.59
    benzyl alcohol 1.38
    2-ethylhexanol 0.51
    isooctanol 0.85
    dipropyl ether 0.6
    1,2-dichlorobenzene 0.28
    ethyl lactate 2.03
    propylene carbonate 2.92
    n-methylformamide 12.55
    2-pentanol 0.89
    n-pentane 0.11
    1-propoxy-2-propanol 3.74
    1-methoxy-2-propyl acetate 2.26
    2-(2-methoxypropoxy) propanol 5.68
    mesitylene 0.3
    ε-caprolactone 4.41
    p-cymene 0.28
    epichlorohydrin 3.64
    1,1,1-trichloroethane 0.24
    2-aminoethanol 19.44
    morpholine-4-carbaldehyde 29.13
    sulfolane 41.75
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 1.49
    n-hexyl acetate 0.93
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 8.89
    sec-butyl acetate 0.27
    tert-butyl acetate 0.7
    decalin 0.08
    glycerin 57.09
    diglyme 12.17
    acrylic acid 10.28
    isopropyl myristate 0.33
    n-butyric acid 4.35
    acetyl acetate 1.14
    di(2-ethylhexyl) phthalate 0.95
    ethyl propionate 0.49
    nitromethane 17.19
    1,2-diethoxyethane 1.47
    benzonitrile 0.52
    trioctyl phosphate 0.76
    1-bromopropane 0.27
    gamma-valerolactone 15.96
    n-decanol 0.68
    triethyl phosphate 0.83
    4-methyl-2-pentanol 0.45
    propionitrile 0.41
    vinylene carbonate 2.9
    1,1,2-trichlorotrifluoroethane 19.32
    DMS 1.47
    cumene 0.15
    2-octanol 0.65
    2-hexanone 0.43
    octyl acetate 0.62
    limonene 0.48
    1,2-dimethoxyethane 3.62
    ethyl orthosilicate 0.74
    tributyl phosphate 0.64
    diacetone alcohol 4.02
    N,N-dimethylaniline 0.59
    acrylonitrile 0.97
    aniline 1.18
    1,3-propanediol 17.22
    bromobenzene 0.16
    dibromomethane 0.43
    1,1,2,2-tetrachloroethane 1.4
    2-methyl-cyclohexyl acetate 0.73
    tetrabutyl urea 1.28
    diisobutyl methanol 0.39
    2-phenylethanol 1.19
    styrene 0.16
    dioctyl adipate 0.85
    dimethyl sulfate 9.81
    ethyl butyrate 0.53
    methyl lactate 8.74
    butyl lactate 2.25
    diethyl carbonate 0.39
    propanediol butyl ether 8.68
    triethyl orthoformate 0.76
    p-tert-butyltoluene 0.3
    methyl 4-tert-butylbenzoate 3.07
    morpholine 5.22
    tert-butylamine 0.31
    n-dodecanol 0.48
    dimethoxymethane 5.91
    ethylene carbonate 2.1
    cyrene 12.85
    2-ethoxyethyl acetate 1.8
    2-ethylhexyl acetate 0.36
    1,2,4-trichlorobenzene 0.49
    4-methylpyridine 0.94
    dibutyl ether 0.39
    2,6-dimethyl-4-heptanol 0.39
    DEF 4.23
    dimethyl isosorbide 8.51
    tetrachloroethylene 1.45
    eugenol 3.23
    triacetin 2.87
    span 80 6.02
    1,4-butanediol 5.57
    1,1-dichloroethane 0.23
    2-methyl-1-pentanol 0.58
    methyl formate 6.99
    2-methyl-1-butanol 1.07
    n-decane 0.12
    butyronitrile 0.43
    3,7-dimethyl-1-octanol 0.57
    1-chlorooctane 0.28
    1-chlorotetradecane 0.12
    n-nonane 0.12
    undecane 0.08
    tert-butylcyclohexane 0.04
    cyclooctane 0.2
    cyclopentanol 2.62
    tetrahydropyran 1.3
    tert-amyl methyl ether 0.57
    2,5,8-trioxanonane 10.59
    1-hexene 0.1
    2-isopropoxyethanol 3.49
    2,2,2-trifluoroethanol 21.21
    methyl butyrate 0.63

    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