alpha-D-Glucopyranoside, beta-D-fructofuranosyl, diacetate hexakis(2-methylpropanoate)

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  • Identifiers

    CAS number
    126-13-6

    Molecular formula
    C40H62O19

    SMILES
    CC(C)C(=O)OC[C@@]1([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C

  • Odor profile

    Fragrance
    Fruity 68.82%
    Buttery 35.45%
    Odorless 33.89%
    Fatty 31.36%
    Winey 29.19%
    Tropical 28.76%
    Creamy 27.15%
    Oily 26.0%
    Sweet 25.23%
    Caramellic 24.76%

     

    Flavor
    Bitter 58.71%
    Fruity 52.16%
    Odorless 27.34%
    Mild 26.56%
    Bland 22.74%
    Sweet-like 21.5%
    Grape skin 20.77%
    Dried berry 20.58%
    Grape 20.51%
    Marshmallow 20.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    2.29 (strong acid)

    Molecular weight
    846.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    430°C

    Flash point

    • 106.67 ˚C est.

  • Synonyms

    • 126-13-6
    • alpha-D-Glucopyranoside, beta-D-fructofuranosyl, diacetate hexakis(2-methylpropanoate)
    • [(2S,3S,4R,5R)-5-(acetyloxymethyl)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
    • a-D-Glucopyranoside,6-O-acetyl-1,3,4-tris-O-(2-methyl-1-oxopropyl)-b-D-fructofuranosyl,6-acetate 2,3,4-tris(2-methylpropanoate)
    • SCHEMBL41578
    • Sucrose acetate isobutyrate, FG
    • ZNEBZIJCDDCNRC-SWTLDUCYSA-N
    • MFCD00041859
    • OS09348
    • HY-167544
    • NS00020780
    • SAIB;Sucrose acetate isobutyrate;Sucrose diacetate hexaisobutyrate
    • 6-O-acetyl-1,3,4-tri-O-isobutyryl-beta-D-fructofuranosyl 6-O-acetyl-2,3,4-tri-O-isobutyryl-alpha-D-glucopyranoside

  • Applications

    Primarily used as a protected disaccharide derivative in synthetic carbohydrate chemistry, alpha-D-Glucopyranoside, beta-D-fructofuranosyl, diacetate hexakis(2-methylpropanoate) serves as a glycosyl donor in regio- and stereo-selective glycosylations to build oligosaccharides; its orthogonal protection by acetyl and pivaloyl groups enables selective deprotection steps in multistep syntheses; it is a common research reagent in enzymology and chemoenzymatic studies of sucrose-processing enzymes and glycosyltransferases; it can be employed as a building block in pharmaceutical and agrochemical synthesis for sugar-containing drug candidates or glycosidic linkers; and it may be used as a reference material or analytical standard for characterization of carbohydrate derivatives in academic and industrial laboratories.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 297.81
    methanol 543.72
    isopropanol 265.98
    water 10.12
    ethyl acetate 1506.38
    n-propanol 332.93
    acetone 1348.27
    n-butanol 232.97
    acetonitrile 783.06
    DMF 4518.19
    toluene 345.26
    isobutanol 232.21
    1,4-dioxane 1194.95
    methyl acetate 1779.97
    THF 2124.91
    2-butanone 1198.43
    n-pentanol 203.7
    sec-butanol 331.37
    n-hexane 16.21
    ethylene glycol 159.34
    NMP 7527.71
    cyclohexane 21.35
    DMSO 3114.56
    n-butyl acetate 514.89
    n-octanol 127.59
    chloroform 2987.4
    n-propyl acetate 755.35
    acetic acid 3508.96
    dichloromethane 2837.23
    cyclohexanone 1445.98
    propylene glycol 297.14
    isopropyl acetate 807.99
    DMAc 5566.26
    2-ethoxyethanol 989.39
    isopentanol 177.92
    n-heptane 11.31
    ethyl formate 1014.79
    1,2-dichloroethane 1331.33
    n-hexanol 122.07
    2-methoxyethanol 1457.71
    isobutyl acetate 353.93
    tetrachloromethane 403.35
    n-pentyl acetate 517.68
    transcutol 1678.7
    n-heptanol 114.76
    ethylbenzene 144.5
    MIBK 360.62
    2-propoxyethanol 752.16
    tert-butanol 263.02
    MTBE 372.88
    2-butoxyethanol 572.71
    propionic acid 1495.72
    o-xylene 242.88
    formic acid 1708.6
    diethyl ether 359.16
    m-xylene 181.99
    p-xylene 200.45
    chlorobenzene 646.2
    dimethyl carbonate 1855.61
    n-octane 7.6
    formamide 2329.68
    cyclopentanone 2542.35
    2-pentanone 834.84
    anisole 485.46
    cyclopentyl methyl ether 820.68
    gamma-butyrolactone 5131.59
    1-methoxy-2-propanol 1160.7
    pyridine 1390.49
    3-pentanone 804.13
    furfural 3858.52
    n-dodecane 5.87
    diethylene glycol 556.76
    diisopropyl ether 91.0
    tert-amyl alcohol 359.29
    acetylacetone 1894.95
    n-hexadecane 6.83
    acetophenone 800.69
    methyl propionate 1623.89
    isopentyl acetate 381.11
    trichloroethylene 4440.68
    n-nonanol 122.66
    cyclohexanol 309.85
    benzyl alcohol 423.87
    2-ethylhexanol 85.58
    isooctanol 88.9
    dipropyl ether 177.11
    1,2-dichlorobenzene 771.67
    ethyl lactate 627.67
    propylene carbonate 2960.38
    n-methylformamide 2405.55
    2-pentanol 188.67
    n-pentane 14.82
    1-propoxy-2-propanol 516.17
    1-methoxy-2-propyl acetate 945.54
    2-(2-methoxypropoxy) propanol 585.46
    mesitylene 84.11
    ε-caprolactone 2114.17
    p-cymene 72.3
    epichlorohydrin 3449.99
    1,1,1-trichloroethane 1741.65
    2-aminoethanol 324.09
    morpholine-4-carbaldehyde 4919.53
    sulfolane 6449.69
    2,2,4-trimethylpentane 13.68
    2-methyltetrahydrofuran 1281.55
    n-hexyl acetate 544.45
    isooctane 4.95
    2-(2-butoxyethoxy)ethanol 654.97
    sec-butyl acetate 469.48
    tert-butyl acetate 651.62
    decalin 17.43
    glycerin 620.88
    diglyme 1659.61
    acrylic acid 1918.04
    isopropyl myristate 129.76
    n-butyric acid 1442.71
    acetyl acetate 1873.34
    di(2-ethylhexyl) phthalate 217.31
    ethyl propionate 792.05
    nitromethane 7004.99
    1,2-diethoxyethane 478.83
    benzonitrile 490.6
    trioctyl phosphate 134.03
    1-bromopropane 479.85
    gamma-valerolactone 4734.42
    n-decanol 76.44
    triethyl phosphate 331.94
    4-methyl-2-pentanol 85.48
    propionitrile 503.42
    vinylene carbonate 3047.6
    1,1,2-trichlorotrifluoroethane 3898.06
    DMS 1082.99
    cumene 81.04
    2-octanol 87.31
    2-hexanone 501.73
    octyl acetate 236.15
    limonene 103.31
    1,2-dimethoxyethane 1357.76
    ethyl orthosilicate 254.84
    tributyl phosphate 194.1
    diacetone alcohol 725.92
    N,N-dimethylaniline 356.33
    acrylonitrile 956.37
    aniline 514.94
    1,3-propanediol 464.54
    bromobenzene 714.74
    dibromomethane 1278.66
    1,1,2,2-tetrachloroethane 2881.59
    2-methyl-cyclohexyl acetate 338.98
    tetrabutyl urea 256.47
    diisobutyl methanol 43.07
    2-phenylethanol 285.2
    styrene 196.9
    dioctyl adipate 305.11
    dimethyl sulfate 4104.84
    ethyl butyrate 466.41
    methyl lactate 1375.84
    butyl lactate 477.01
    diethyl carbonate 389.03
    propanediol butyl ether 504.39
    triethyl orthoformate 352.4
    p-tert-butyltoluene 69.01
    methyl 4-tert-butylbenzoate 714.49
    morpholine 1608.3
    tert-butylamine 103.32
    n-dodecanol 49.11
    dimethoxymethane 1785.78
    ethylene carbonate 2037.25
    cyrene 979.52
    2-ethoxyethyl acetate 1056.85
    2-ethylhexyl acetate 299.95
    1,2,4-trichlorobenzene 1272.9
    4-methylpyridine 1409.53
    dibutyl ether 143.2
    2,6-dimethyl-4-heptanol 43.07
    DEF 1750.27
    dimethyl isosorbide 1090.06
    tetrachloroethylene 1609.63
    eugenol 511.4
    triacetin 1304.83
    span 80 448.47
    1,4-butanediol 229.13
    1,1-dichloroethane 1378.81
    2-methyl-1-pentanol 181.34
    methyl formate 2246.99
    2-methyl-1-butanol 238.16
    n-decane 12.08
    butyronitrile 362.2
    3,7-dimethyl-1-octanol 96.98
    1-chlorooctane 78.74
    1-chlorotetradecane 24.6
    n-nonane 10.72
    undecane 7.97
    tert-butylcyclohexane 13.47
    cyclooctane 9.39
    cyclopentanol 568.84
    tetrahydropyran 714.08
    tert-amyl methyl ether 381.59
    2,5,8-trioxanonane 943.98
    1-hexene 75.91
    2-isopropoxyethanol 625.96
    2,2,2-trifluoroethanol 2422.81
    methyl butyrate 1028.19

    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