Neokestose

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  • Identifiers

    CAS number
    3688-75-3

    Molecular formula
    C18H32O16

    SMILES
    C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 70.16%
    Sweet 54.38%
    Alcoholic 23.46%
    Caramellic 18.84%
    Cooling 16.85%
    Clean 16.84%
    Woody 16.12%
    Savory 15.12%
    Bitter 14.92%
    Milky 14.84%

     

    Flavor
    Sweet 78.14%
    Odorless 56.66%
    Bitter 48.22%
    Sweet-like 33.65%
    Fatty 23.63%
    Cauliflower 22.03%
    Very slight 21.94%
    Very mild 20.5%
    Soup 20.46%
    Alkaline 20.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -5.5

    pKa est.
    3.52 (weak acid)

    Molecular weight
    504.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    4809°C

    Flash point

    • 325.17 ˚C est.

  • Synonyms

    • Neokestose
    • 3688-75-3
    • RefChem:927621
    • GlyTouCan:G64807HO
    • G64807HO
    • (2R,3R,4S,5S,6R)-2-((2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy-6-(((2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl)oxymethyl)oxane-3,4,5-triol
    • 222-991-0
    • 6G-kestotriose
    • Kestose, neo-
    • SCHEMBL16144809
    • EC9DB37C-0DD7-4B7C-8DB5-78A995EDF0B7
    • beta-D-fructofuranosyl-(2->6)-alpha-D-glucopyranosyl-(1↔2)-beta-D-fructofuranose
    • |A-D-Glucopyranoside, |A-D-fructofuranosyl O-|A-D-fructofuranosyl-(2 inverted exclamation marku6)-
    • 3688-75-3

  • Applications

    Neokestose, CAS 3688-75-3, is a non-digestible oligosaccharide that is commonly evaluated as a prebiotic ingredient. In food processing and dietary supplements it may support gut microbiota. It is studied for cosmetic/personal care applications as a humectant and conditioning agent in formulations. In pharmaceutical contexts it can serve as an excipient or carrier, providing bulk and stabilization properties in certain dosage forms, subject to local regulations. It is used as an intermediate or starting material in glycosylation chemistry for the synthesis of inulin-type oligosaccharides or related oligosaccharides in industrial manufacturing. It may also be evaluated for use in animal nutrition as a prebiotic additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.55
    methanol 106.62
    isopropanol 6.57
    water 89.64
    ethyl acetate 4.02
    n-propanol 9.49
    acetone 12.25
    n-butanol 6.18
    acetonitrile 4.09
    DMF 215.47
    toluene 0.57
    isobutanol 2.84
    1,4-dioxane 19.58
    methyl acetate 4.45
    THF 24.5
    2-butanone 5.79
    n-pentanol 2.6
    sec-butanol 3.76
    n-hexane 0.07
    ethylene glycol 83.51
    NMP 141.5
    cyclohexane 0.3
    DMSO 560.74
    n-butyl acetate 1.3
    n-octanol 2.24
    chloroform 1.16
    n-propyl acetate 1.25
    acetic acid 86.86
    dichloromethane 1.98
    cyclohexanone 10.03
    propylene glycol 42.85
    isopropyl acetate 1.98
    DMAc 125.37
    2-ethoxyethanol 38.28
    isopentanol 2.33
    n-heptane 0.22
    ethyl formate 7.26
    1,2-dichloroethane 1.89
    n-hexanol 1.79
    2-methoxyethanol 126.45
    isobutyl acetate 0.46
    tetrachloromethane 0.36
    n-pentyl acetate 2.17
    transcutol 39.77
    n-heptanol 2.6
    ethylbenzene 0.2
    MIBK 1.71
    2-propoxyethanol 20.07
    tert-butanol 2.8
    MTBE 1.15
    2-butoxyethanol 15.76
    propionic acid 13.53
    o-xylene 0.51
    formic acid 358.64
    diethyl ether 2.73
    m-xylene 0.35
    p-xylene 0.22
    chlorobenzene 0.33
    dimethyl carbonate 12.38
    n-octane 0.15
    formamide 283.21
    cyclopentanone 18.31
    2-pentanone 5.04
    anisole 1.05
    cyclopentyl methyl ether 5.61
    gamma-butyrolactone 29.85
    1-methoxy-2-propanol 49.3
    pyridine 7.41
    3-pentanone 3.71
    furfural 30.99
    n-dodecane 0.08
    diethylene glycol 46.59
    diisopropyl ether 0.43
    tert-amyl alcohol 2.54
    acetylacetone 10.42
    n-hexadecane 0.09
    acetophenone 2.15
    methyl propionate 7.77
    isopentyl acetate 0.9
    trichloroethylene 2.85
    n-nonanol 2.1
    cyclohexanol 4.27
    benzyl alcohol 2.88
    2-ethylhexanol 0.77
    isooctanol 1.35
    dipropyl ether 1.66
    1,2-dichlorobenzene 0.35
    ethyl lactate 5.1
    propylene carbonate 8.52
    n-methylformamide 94.7
    2-pentanol 2.32
    n-pentane 0.15
    1-propoxy-2-propanol 9.41
    1-methoxy-2-propyl acetate 5.74
    2-(2-methoxypropoxy) propanol 9.63
    mesitylene 0.23
    ε-caprolactone 11.83
    p-cymene 0.3
    epichlorohydrin 14.87
    1,1,1-trichloroethane 0.41
    2-aminoethanol 62.14
    morpholine-4-carbaldehyde 133.8
    sulfolane 92.12
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 6.44
    n-hexyl acetate 2.28
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 15.96
    sec-butyl acetate 0.68
    tert-butyl acetate 1.67
    decalin 0.06
    glycerin 142.27
    diglyme 31.77
    acrylic acid 27.47
    isopropyl myristate 0.71
    n-butyric acid 11.63
    acetyl acetate 3.41
    di(2-ethylhexyl) phthalate 1.39
    ethyl propionate 1.54
    nitromethane 89.98
    1,2-diethoxyethane 4.65
    benzonitrile 1.33
    trioctyl phosphate 1.23
    1-bromopropane 0.6
    gamma-valerolactone 68.11
    n-decanol 1.4
    triethyl phosphate 1.4
    4-methyl-2-pentanol 0.81
    propionitrile 1.82
    vinylene carbonate 9.39
    1,1,2-trichlorotrifluoroethane 44.57
    DMS 3.14
    cumene 0.13
    2-octanol 1.33
    2-hexanone 1.36
    octyl acetate 1.42
    limonene 0.59
    1,2-dimethoxyethane 22.24
    ethyl orthosilicate 1.16
    tributyl phosphate 0.99
    diacetone alcohol 7.94
    N,N-dimethylaniline 1.2
    acrylonitrile 4.7
    aniline 2.62
    1,3-propanediol 52.92
    bromobenzene 0.2
    dibromomethane 0.89
    1,1,2,2-tetrachloroethane 2.57
    2-methyl-cyclohexyl acetate 1.04
    tetrabutyl urea 2.37
    diisobutyl methanol 0.47
    2-phenylethanol 2.09
    styrene 0.23
    dioctyl adipate 1.69
    dimethyl sulfate 36.99
    ethyl butyrate 1.36
    methyl lactate 26.65
    butyl lactate 4.57
    diethyl carbonate 0.96
    propanediol butyl ether 16.8
    triethyl orthoformate 1.73
    p-tert-butyltoluene 0.31
    methyl 4-tert-butylbenzoate 4.64
    morpholine 34.26
    tert-butylamine 0.82
    n-dodecanol 0.91
    dimethoxymethane 50.98
    ethylene carbonate 6.87
    cyrene 19.95
    2-ethoxyethyl acetate 5.67
    2-ethylhexyl acetate 0.7
    1,2,4-trichlorobenzene 0.62
    4-methylpyridine 3.78
    dibutyl ether 1.01
    2,6-dimethyl-4-heptanol 0.47
    DEF 19.11
    dimethyl isosorbide 13.15
    tetrachloroethylene 2.29
    eugenol 5.48
    triacetin 5.6
    span 80 9.23
    1,4-butanediol 16.05
    1,1-dichloroethane 0.63
    2-methyl-1-pentanol 1.19
    methyl formate 55.58
    2-methyl-1-butanol 2.61
    n-decane 0.18
    butyronitrile 1.74
    3,7-dimethyl-1-octanol 0.96
    1-chlorooctane 0.48
    1-chlorotetradecane 0.17
    n-nonane 0.17
    undecane 0.12
    tert-butylcyclohexane 0.03
    cyclooctane 0.16
    cyclopentanol 6.83
    tetrahydropyran 5.89
    tert-amyl methyl ether 1.6
    2,5,8-trioxanonane 22.16
    1-hexene 0.19
    2-isopropoxyethanol 10.42
    2,2,2-trifluoroethanol 50.04
    methyl butyrate 2.34

    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