fagopyritol B3

Overview IFRA Request a quote

  • Identifiers

    CAS number
    208708-11-6

    Molecular formula
    C24H42O21

    SMILES
    C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)OC4[C@H]([C@@H](C([C@H]([C@@H]4O)O)O)O)O)O)O)O)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 71.96%
    Sweet 45.49%
    Woody 23.61%
    Alcoholic 20.76%
    Caramellic 19.47%
    Clean 15.73%
    Cooling 15.46%
    Savory 15.23%
    Burnt 15.12%
    Smoky 14.92%

     

    Flavor
    Sweet 77.43%
    Odorless 53.84%
    Bitter 46.02%
    Sweet-like 32.07%
    Very slight 21.28%
    Cauliflower 21.24%
    Fatty 20.75%
    Soup 19.95%
    Alkaline 19.94%
    Mentholic 19.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -9.6

    pKa est.
    2.25 (strong acid)

    Molecular weight
    666.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    5035°C

    Flash point

    • 307.27 ˚C est.

  • Synonyms

    • fagopyritol B3
    • CHEBI:193927
    • DTXSID801317305
    • 208708-11-6
    • (1S,2R,4R,5S)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
    • (1S,2S,3R,4R,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranoside
    • 208708-11-6

  • Applications

    Fagopyritol B3 (CAS 208708-11-6) is an oligosaccharide glycoside of myo-inositol derived from buckwheat, commonly considered an intermediate in the synthesis of more complex glycosides and may serve as an analytical reference standard for carbohydrate/oligosaccharide analysis; in the nutraceutical and functional food space it may be evaluated as a specialized carbohydrate ingredient with potential applications, and in cosmetics and personal care it could be explored as a humectant or stabilizing component; in biochemical and pharmaceutical research it can serve as a substrate or reference material for studies of glycosidases and inositol glycosides, and in polymer-related contexts it may be looked at as a building block for glycosylated systems or glycoside-containing polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.09
    methanol 10.71
    isopropanol 0.64
    water 3.97
    ethyl acetate 0.37
    n-propanol 1.18
    acetone 0.76
    n-butanol 0.78
    acetonitrile 0.3
    DMF 13.58
    toluene 0.12
    isobutanol 0.31
    1,4-dioxane 2.39
    methyl acetate 0.4
    THF 3.5
    2-butanone 0.6
    n-pentanol 0.31
    sec-butanol 0.45
    n-hexane 0.01
    ethylene glycol 7.18
    NMP 15.32
    cyclohexane 0.04
    DMSO 37.43
    n-butyl acetate 0.14
    n-octanol 0.36
    chloroform 0.14
    n-propyl acetate 0.13
    acetic acid 5.93
    dichloromethane 0.21
    cyclohexanone 1.01
    propylene glycol 5.24
    isopropyl acetate 0.18
    DMAc 10.83
    2-ethoxyethanol 4.09
    isopentanol 0.26
    n-heptane 0.04
    ethyl formate 0.6
    1,2-dichloroethane 0.18
    n-hexanol 0.21
    2-methoxyethanol 15.18
    isobutyl acetate 0.04
    tetrachloromethane 0.04
    n-pentyl acetate 0.31
    transcutol 7.06
    n-heptanol 0.42
    ethylbenzene 0.04
    MIBK 0.17
    2-propoxyethanol 2.68
    tert-butanol 0.23
    MTBE 0.12
    2-butoxyethanol 2.66
    propionic acid 1.24
    o-xylene 0.09
    formic acid 25.18
    diethyl ether 0.38
    m-xylene 0.07
    p-xylene 0.03
    chlorobenzene 0.04
    dimethyl carbonate 1.06
    n-octane 0.03
    formamide 20.41
    cyclopentanone 1.84
    2-pentanone 0.52
    anisole 0.13
    cyclopentyl methyl ether 0.79
    gamma-butyrolactone 2.62
    1-methoxy-2-propanol 6.28
    pyridine 1.04
    3-pentanone 0.4
    furfural 3.32
    n-dodecane 0.01
    diethylene glycol 5.65
    diisopropyl ether 0.05
    tert-amyl alcohol 0.26
    acetylacetone 0.79
    n-hexadecane 0.01
    acetophenone 0.22
    methyl propionate 0.8
    isopentyl acetate 0.09
    trichloroethylene 0.27
    n-nonanol 0.34
    cyclohexanol 0.5
    benzyl alcohol 0.33
    2-ethylhexanol 0.1
    isooctanol 0.2
    dipropyl ether 0.26
    1,2-dichlorobenzene 0.04
    ethyl lactate 0.47
    propylene carbonate 0.72
    n-methylformamide 6.81
    2-pentanol 0.29
    n-pentane 0.03
    1-propoxy-2-propanol 1.48
    1-methoxy-2-propyl acetate 0.68
    2-(2-methoxypropoxy) propanol 1.34
    mesitylene 0.04
    ε-caprolactone 1.19
    p-cymene 0.04
    epichlorohydrin 1.6
    1,1,1-trichloroethane 0.04
    2-aminoethanol 6.14
    morpholine-4-carbaldehyde 14.03
    sulfolane 8.63
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.86
    n-hexyl acetate 0.3
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.75
    sec-butyl acetate 0.07
    tert-butyl acetate 0.16
    decalin 0.01
    glycerin 16.64
    diglyme 4.97
    acrylic acid 2.3
    isopropyl myristate 0.08
    n-butyric acid 1.13
    acetyl acetate 0.24
    di(2-ethylhexyl) phthalate 0.15
    ethyl propionate 0.16
    nitromethane 5.2
    1,2-diethoxyethane 0.67
    benzonitrile 0.12
    trioctyl phosphate 0.15
    1-bromopropane 0.08
    gamma-valerolactone 7.28
    n-decanol 0.21
    triethyl phosphate 0.13
    4-methyl-2-pentanol 0.08
    propionitrile 0.18
    vinylene carbonate 0.76
    1,1,2-trichlorotrifluoroethane 4.83
    DMS 0.32
    cumene 0.02
    2-octanol 0.22
    2-hexanone 0.15
    octyl acetate 0.19
    limonene 0.07
    1,2-dimethoxyethane 2.35
    ethyl orthosilicate 0.13
    tributyl phosphate 0.11
    diacetone alcohol 0.9
    N,N-dimethylaniline 0.15
    acrylonitrile 0.41
    aniline 0.38
    1,3-propanediol 5.56
    bromobenzene 0.03
    dibromomethane 0.1
    1,1,2,2-tetrachloroethane 0.26
    2-methyl-cyclohexyl acetate 0.1
    tetrabutyl urea 0.29
    diisobutyl methanol 0.05
    2-phenylethanol 0.24
    styrene 0.04
    dioctyl adipate 0.2
    dimethyl sulfate 3.06
    ethyl butyrate 0.15
    methyl lactate 2.91
    butyl lactate 0.71
    diethyl carbonate 0.08
    propanediol butyl ether 3.31
    triethyl orthoformate 0.21
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 0.61
    morpholine 4.21
    tert-butylamine 0.07
    n-dodecanol 0.13
    dimethoxymethane 5.05
    ethylene carbonate 0.54
    cyrene 2.51
    2-ethoxyethyl acetate 0.8
    2-ethylhexyl acetate 0.07
    1,2,4-trichlorobenzene 0.06
    4-methylpyridine 0.48
    dibutyl ether 0.17
    2,6-dimethyl-4-heptanol 0.05
    DEF 1.89
    dimethyl isosorbide 1.85
    tetrachloroethylene 0.24
    eugenol 0.76
    triacetin 0.65
    span 80 1.55
    1,4-butanediol 1.45
    1,1-dichloroethane 0.06
    2-methyl-1-pentanol 0.13
    methyl formate 3.78
    2-methyl-1-butanol 0.31
    n-decane 0.03
    butyronitrile 0.18
    3,7-dimethyl-1-octanol 0.11
    1-chlorooctane 0.08
    1-chlorotetradecane 0.02
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.0
    cyclooctane 0.02
    cyclopentanol 0.78
    tetrahydropyran 0.82
    tert-amyl methyl ether 0.19
    2,5,8-trioxanonane 3.29
    1-hexene 0.03
    2-isopropoxyethanol 1.08
    2,2,2-trifluoroethanol 3.18
    methyl butyrate 0.22

    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