fagopyritol A1

Overview IFRA Request a quote

  • Identifiers

    CAS number
    209287-65-0

    Molecular formula
    C12H22O11

    SMILES
    C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@H](C([C@@H]([C@@H]2O)O)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 69.89%
    Sweet 47.1%
    Woody 27.56%
    Caramellic 23.46%
    Alcoholic 18.72%
    Burnt 17.49%
    Smoky 17.15%
    Phenolic 15.92%
    Clean 15.79%
    Vanilla 15.76%

     

    Flavor
    Sweet 83.75%
    Odorless 56.55%
    Bitter 46.91%
    Sweet-like 31.21%
    Very slight 21.75%
    Cauliflower 21.41%
    Soup 20.16%
    Alkaline 19.94%
    Mentholic 19.86%
    Fenugreek 19.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -5.3

    pKa est.
    3.67 (weak acid)

    Molecular weight
    342.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    3141°C

    Flash point

    • 301.96 ˚C est.

  • Synonyms

    • fagopyritol A1
    • O-alpha-D-galactopyranosyl-(1->3)-1D-chiro-inositol
    • (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl alpha-D-galactopyranoside
    • CHEBI:156276
    • DTXSID501317413
    • (1R,2S,4S,5S)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
    • 209287-65-0
    • 209287-65-0

  • Applications

    Fagopyritol A1 (CAS 209287-65-0) is a glycosylated inositol identified in buckwheat seeds. In industrial contexts, its applications are mainly in research and analytics: it is used as a reference compound and analytical standard for quantification of inositol glycosides in natural products and plant metabolomics; it also serves as a marker for buckwheat authenticity and quality assessment in food science; it is studied for potential nutraceutical relevance as part of buckwheat-derived inositol glycosides; and it provides a basis for research in biosynthesis and synthesis of related glycosides in natural product chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.43
    methanol 1.74
    isopropanol 0.11
    water 181.74
    ethyl acetate 0.04
    n-propanol 0.17
    acetone 0.07
    n-butanol 0.11
    acetonitrile 0.05
    DMF 8.75
    toluene 0.04
    isobutanol 0.07
    1,4-dioxane 0.43
    methyl acetate 0.04
    THF 0.32
    2-butanone 0.06
    n-pentanol 0.06
    sec-butanol 0.1
    n-hexane 0.01
    ethylene glycol 14.8
    NMP 12.0
    cyclohexane 0.09
    DMSO 50.31
    n-butyl acetate 0.06
    n-octanol 0.17
    chloroform 0.01
    n-propyl acetate 0.02
    acetic acid 2.27
    dichloromethane 0.01
    cyclohexanone 0.23
    propylene glycol 4.35
    isopropyl acetate 0.03
    DMAc 5.63
    2-ethoxyethanol 1.32
    isopentanol 0.06
    n-heptane 0.09
    ethyl formate 0.06
    1,2-dichloroethane 0.02
    n-hexanol 0.16
    2-methoxyethanol 4.67
    isobutyl acetate 0.01
    tetrachloromethane 0.02
    n-pentyl acetate 0.08
    transcutol 3.59
    n-heptanol 0.25
    ethylbenzene 0.02
    MIBK 0.04
    2-propoxyethanol 1.51
    tert-butanol 0.11
    MTBE 0.03
    2-butoxyethanol 1.21
    propionic acid 0.38
    o-xylene 0.07
    formic acid 52.73
    diethyl ether 0.05
    m-xylene 0.05
    p-xylene 0.02
    chlorobenzene 0.01
    dimethyl carbonate 0.36
    n-octane 0.04
    formamide 29.58
    cyclopentanone 0.31
    2-pentanone 0.06
    anisole 0.04
    cyclopentyl methyl ether 0.26
    gamma-butyrolactone 0.54
    1-methoxy-2-propanol 2.39
    pyridine 0.19
    3-pentanone 0.08
    furfural 0.85
    n-dodecane 0.02
    diethylene glycol 7.52
    diisopropyl ether 0.03
    tert-amyl alcohol 0.12
    acetylacetone 0.17
    n-hexadecane 0.02
    acetophenone 0.09
    methyl propionate 0.14
    isopentyl acetate 0.04
    trichloroethylene 0.03
    n-nonanol 0.17
    cyclohexanol 0.3
    benzyl alcohol 0.13
    2-ethylhexanol 0.09
    isooctanol 0.14
    dipropyl ether 0.17
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.34
    propylene carbonate 0.2
    n-methylformamide 2.35
    2-pentanol 0.08
    n-pentane 0.03
    1-propoxy-2-propanol 0.98
    1-methoxy-2-propyl acetate 0.36
    2-(2-methoxypropoxy) propanol 1.08
    mesitylene 0.04
    ε-caprolactone 0.3
    p-cymene 0.06
    epichlorohydrin 0.16
    1,1,1-trichloroethane 0.01
    2-aminoethanol 5.77
    morpholine-4-carbaldehyde 7.44
    sulfolane 5.85
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.14
    n-hexyl acetate 0.09
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 1.79
    sec-butyl acetate 0.02
    tert-butyl acetate 0.06
    decalin 0.02
    glycerin 31.49
    diglyme 2.48
    acrylic acid 1.05
    isopropyl myristate 0.04
    n-butyric acid 0.19
    acetyl acetate 0.05
    di(2-ethylhexyl) phthalate 0.09
    ethyl propionate 0.04
    nitromethane 1.15
    1,2-diethoxyethane 0.21
    benzonitrile 0.03
    trioctyl phosphate 0.11
    1-bromopropane 0.01
    gamma-valerolactone 1.36
    n-decanol 0.13
    triethyl phosphate 0.14
    4-methyl-2-pentanol 0.05
    propionitrile 0.03
    vinylene carbonate 0.19
    1,1,2-trichlorotrifluoroethane 2.43
    DMS 0.17
    cumene 0.02
    2-octanol 0.13
    2-hexanone 0.03
    octyl acetate 0.07
    limonene 0.09
    1,2-dimethoxyethane 0.57
    ethyl orthosilicate 0.12
    tributyl phosphate 0.08
    diacetone alcohol 0.48
    N,N-dimethylaniline 0.1
    acrylonitrile 0.08
    aniline 0.13
    1,3-propanediol 2.53
    bromobenzene 0.01
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.05
    2-methyl-cyclohexyl acetate 0.08
    tetrabutyl urea 0.22
    diisobutyl methanol 0.08
    2-phenylethanol 0.17
    styrene 0.02
    dioctyl adipate 0.08
    dimethyl sulfate 1.97
    ethyl butyrate 0.07
    methyl lactate 1.83
    butyl lactate 0.35
    diethyl carbonate 0.06
    propanediol butyl ether 1.86
    triethyl orthoformate 0.15
    p-tert-butyltoluene 0.06
    methyl 4-tert-butylbenzoate 0.42
    morpholine 0.87
    tert-butylamine 0.05
    n-dodecanol 0.09
    dimethoxymethane 1.32
    ethylene carbonate 0.14
    cyrene 2.11
    2-ethoxyethyl acetate 0.17
    2-ethylhexyl acetate 0.04
    1,2,4-trichlorobenzene 0.02
    4-methylpyridine 0.08
    dibutyl ether 0.07
    2,6-dimethyl-4-heptanol 0.08
    DEF 0.58
    dimethyl isosorbide 1.43
    tetrachloroethylene 0.07
    eugenol 0.51
    triacetin 0.28
    span 80 1.25
    1,4-butanediol 0.86
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.04
    methyl formate 0.88
    2-methyl-1-butanol 0.07
    n-decane 0.04
    butyronitrile 0.02
    3,7-dimethyl-1-octanol 0.07
    1-chlorooctane 0.04
    1-chlorotetradecane 0.02
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.07
    cyclopentanol 0.32
    tetrahydropyran 0.15
    tert-amyl methyl ether 0.07
    2,5,8-trioxanonane 2.39
    1-hexene 0.02
    2-isopropoxyethanol 0.41
    2,2,2-trifluoroethanol 2.75
    methyl butyrate 0.05

    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