Glycitin

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  • Identifiers

    CAS number
    40246-10-4

    Molecular formula
    C22H22O10

    SMILES
    COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.21%
    Vanilla 49.6%
    Sweet 39.11%
    Phenolic 34.74%
    Creamy 26.23%
    Milky 25.81%
    Balsamic 24.03%
    Spicy 23.89%
    Smoky 23.42%
    Burnt 21.8%

     

    Flavor
    Bitter 87.66%
    Bland 31.43%
    Odorless 28.07%
    Sweet-like 24.67%
    Cedarleaf 20.18%
    Parsley 19.8%
    Lovage 19.5%
    Eugenol 19.4%
    Ethyl benzoate 18.74%
    Naphthalic 18.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.65 (neutral)

    Molecular weight
    446.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2291°C

    Flash point

    • 280.64 ˚C est.

  • Synonyms

    • Glycitin
    • 40246-10-4
    • Glycitein 7-O-glucoside
    • Glycitein 7-O-beta-glucoside
    • Glycitein-7-beta-O-glucoside
    • G2S44P62XC
    • 3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    • CHEBI:80373
    • DTXSID80193227
    • 3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
    • 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-
    • 3-(4-hydroxyphenyl)-6-methoxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one
    • RefChem:143896
    • DTXCID90115718
    • 3-(4-hydroxyphenyl)-6-methoxy-7-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one
    • MFCD00800711
    • 3-(4-hydroxyphenyl)-6-methoxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
    • 3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl .beta.-D-glucopyranoside
    • UNII-G2S44P62XC
    • BIDD:ER0468
    • 4',7-dihydroxy-6-methoxyisoflavone-7-d-glucoside
    • 7-(ss-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; Glycitein 7-O-glucoside; Glycitein 7-O-ss-glucoside; Glycitein-7-ss-O-glucoside; Glycitin
    • Glycitin (Standard)
    • GLYCITIN [USP-RS]
    • SCHEMBL62443
    • Glycitein-7-O-?-D-glucoside
    • SCHEMBL30444364
    • HY-N0012R
    • HY-N0012
    • MSK40143
    • s3825
    • AKOS015892761
    • AC-6047
    • CCG-269194
    • EBC-618391
    • MG08014
    • 4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-
    • GLYCITEIN 7-O-.BETA.-GLUCOSIDE
    • GLYCITEIN-7-.BETA.-O-GLUCOSIDE
    • 3-(4-hydroxyphenyl)-6-methoxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
    • 246G104
    • 4',7-Dihydroxy 6-methoxyisoflavone 7-O-glucoside
    • Q27149383
    • GLYCITIN (CONSTITUENT OF SOY ISOFLAVONES) [DSC]
    • Glycitin, United States Pharmacopeia (USP) Reference Standard
    • 3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside
    • 7-(?-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
    • 3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
    • 7-(?-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; Glycitein 7-O-glucoside; Glycitein 7-O-?-glucoside; Glycitein-7-?-O-glucoside; Glycitin
    • 40246-10-4

  • Applications

    Glycitin (CAS 40246-10-4) is the 7-O-β-D-glucoside of glycitein, an isoflavone derived from plants. In industrial and research contexts, it is mainly used as an analytical reference standard and as a starting material for synthesizing glycosylated isoflavones, supporting quantification of isoflavones in soy and related products. It also serves as a precursor for glycoside derivatives and can be hydrolyzed to glycitein for biochemical studies. Glycitin is investigated for cosmetic applications as an antioxidant ingredient and is encountered in food analysis for profiling soy isoflavones in functional foods and nutraceuticals; it is also used in agricultural and plant biosynthesis research to understand isoflavone production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.61
    methanol 3.53
    isopropanol 3.91
    water 0.13
    ethyl acetate 0.43
    n-propanol 5.68
    acetone 3.11
    n-butanol 2.32
    acetonitrile 0.5
    DMF 28.04
    toluene 0.08
    isobutanol 1.49
    1,4-dioxane 8.12
    methyl acetate 1.13
    THF 27.1
    2-butanone 2.87
    n-pentanol 1.01
    sec-butanol 2.94
    n-hexane 0.01
    ethylene glycol 15.99
    NMP 16.64
    cyclohexane 0.01
    DMSO 100.36
    n-butyl acetate 0.12
    n-octanol 0.58
    chloroform 0.05
    n-propyl acetate 0.2
    acetic acid 14.38
    dichloromethane 0.08
    cyclohexanone 2.68
    propylene glycol 15.15
    isopropyl acetate 0.23
    DMAc 36.1
    2-ethoxyethanol 17.3
    isopentanol 0.87
    n-heptane 0.02
    ethyl formate 0.64
    1,2-dichloroethane 0.14
    n-hexanol 0.33
    2-methoxyethanol 48.16
    isobutyl acetate 0.07
    tetrachloromethane 0.02
    n-pentyl acetate 0.38
    transcutol 17.47
    n-heptanol 0.66
    ethylbenzene 0.03
    MIBK 0.31
    2-propoxyethanol 5.69
    tert-butanol 1.65
    MTBE 0.39
    2-butoxyethanol 4.04
    propionic acid 3.51
    o-xylene 0.06
    formic acid 22.32
    diethyl ether 0.6
    m-xylene 0.05
    p-xylene 0.04
    chlorobenzene 0.03
    dimethyl carbonate 1.32
    n-octane 0.02
    formamide 25.75
    cyclopentanone 7.86
    2-pentanone 1.05
    anisole 0.22
    cyclopentyl methyl ether 1.41
    gamma-butyrolactone 8.11
    1-methoxy-2-propanol 22.21
    pyridine 2.18
    3-pentanone 0.71
    furfural 4.32
    n-dodecane 0.02
    diethylene glycol 11.54
    diisopropyl ether 0.06
    tert-amyl alcohol 1.35
    acetylacetone 1.69
    n-hexadecane 0.02
    acetophenone 0.34
    methyl propionate 1.26
    isopentyl acetate 0.12
    trichloroethylene 0.22
    n-nonanol 0.66
    cyclohexanol 1.34
    benzyl alcohol 0.65
    2-ethylhexanol 0.15
    isooctanol 0.4
    dipropyl ether 0.41
    1,2-dichlorobenzene 0.02
    ethyl lactate 0.8
    propylene carbonate 0.8
    n-methylformamide 11.1
    2-pentanol 0.92
    n-pentane 0.01
    1-propoxy-2-propanol 2.9
    1-methoxy-2-propyl acetate 0.75
    2-(2-methoxypropoxy) propanol 3.53
    mesitylene 0.03
    ε-caprolactone 2.3
    p-cymene 0.04
    epichlorohydrin 6.14
    1,1,1-trichloroethane 0.03
    2-aminoethanol 16.91
    morpholine-4-carbaldehyde 21.72
    sulfolane 16.58
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.46
    n-hexyl acetate 0.49
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 6.19
    sec-butyl acetate 0.11
    tert-butyl acetate 0.3
    decalin 0.01
    glycerin 37.54
    diglyme 11.29
    acrylic acid 4.75
    isopropyl myristate 0.19
    n-butyric acid 1.88
    acetyl acetate 0.24
    di(2-ethylhexyl) phthalate 0.3
    ethyl propionate 0.23
    nitromethane 14.62
    1,2-diethoxyethane 1.33
    benzonitrile 0.16
    trioctyl phosphate 0.25
    1-bromopropane 0.07
    gamma-valerolactone 20.07
    n-decanol 0.44
    triethyl phosphate 0.19
    4-methyl-2-pentanol 0.23
    propionitrile 0.42
    vinylene carbonate 0.65
    1,1,2-trichlorotrifluoroethane 9.04
    DMS 0.44
    cumene 0.02
    2-octanol 0.37
    2-hexanone 0.4
    octyl acetate 0.36
    limonene 0.06
    1,2-dimethoxyethane 9.6
    ethyl orthosilicate 0.2
    tributyl phosphate 0.22
    diacetone alcohol 2.48
    N,N-dimethylaniline 0.2
    acrylonitrile 0.85
    aniline 0.55
    1,3-propanediol 19.37
    bromobenzene 0.02
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.27
    2-methyl-cyclohexyl acetate 0.17
    tetrabutyl urea 0.6
    diisobutyl methanol 0.11
    2-phenylethanol 0.33
    styrene 0.03
    dioctyl adipate 0.45
    dimethyl sulfate 3.21
    ethyl butyrate 0.17
    methyl lactate 4.28
    butyl lactate 0.91
    diethyl carbonate 0.12
    propanediol butyl ether 4.78
    triethyl orthoformate 0.32
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 0.91
    morpholine 20.01
    tert-butylamine 0.28
    n-dodecanol 0.28
    dimethoxymethane 12.64
    ethylene carbonate 0.55
    cyrene 4.14
    2-ethoxyethyl acetate 0.98
    2-ethylhexyl acetate 0.08
    1,2,4-trichlorobenzene 0.06
    4-methylpyridine 0.65
    dibutyl ether 0.36
    2,6-dimethyl-4-heptanol 0.11
    DEF 2.7
    dimethyl isosorbide 3.26
    tetrachloroethylene 0.18
    eugenol 1.16
    triacetin 1.0
    span 80 2.71
    1,4-butanediol 5.11
    1,1-dichloroethane 0.06
    2-methyl-1-pentanol 0.42
    methyl formate 5.99
    2-methyl-1-butanol 1.1
    n-decane 0.03
    butyronitrile 0.3
    3,7-dimethyl-1-octanol 0.26
    1-chlorooctane 0.09
    1-chlorotetradecane 0.04
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 3.74
    tetrahydropyran 2.73
    tert-amyl methyl ether 0.43
    2,5,8-trioxanonane 7.73
    1-hexene 0.03
    2-isopropoxyethanol 4.71
    2,2,2-trifluoroethanol 4.23
    methyl butyrate 0.35

    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