alpha-Glucosyl Hesperidin

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  • Identifiers

    CAS number
    161713-86-6

    Molecular formula
    C34H44O20

    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)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 74.84%
    Sweet 33.68%
    Vanilla 32.35%
    Milky 22.29%
    Savory 19.79%
    Creamy 18.72%
    Phenolic 17.66%
    Smoky 17.1%
    Spicy 16.9%
    Caramellic 16.8%

     

    Flavor
    Bitter 65.04%
    Odorless 34.62%
    Bland 32.43%
    Sweet-like 30.02%
    Fatty 23.67%
    Very mild 20.55%
    Cedarleaf 20.43%
    Cauliflower 19.93%
    Very slight 19.81%
    Eugenol 19.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.7

    pKa est.
    5.92 (weak acid)

    Molecular weight
    772.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    6459°C

    Flash point

    • 243.74 ˚C est.

  • Synonyms

    • 161713-86-6
    • Ghesperidin
    • alpha-Glucosyl Hesperidin
    • (2S)-7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
    • a-D-Glucosyl hesperidin
    • a-Glucosyl hesperidin
    • 7-Glucosylhesperidin
    • alpha-glucosyl-hesperidin
    • orb2893440
    • SCHEMBL22644236
    • SCHEMBL29371020
    • IMMBLRJLSYJQIZ-RBWYFKFWSA-N
    • DTXSID601373565
    • MFCD22124222
    • MG12859
    • PD133001
    • D90765
    • 4H-1-Benzopyran-4-one, 7-[(O-6-deoxy-|A-L-mannopyranosyl-(1 inverted exclamation marku6)-O-[|A-D-glucopyranosyl-(1 inverted exclamation marku4)]-|A-D-glucopyranosyl)oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-
    • 161713-86-6

  • Applications

    alpha-Glucosyl Hesperidin (CAS 161713-86-6) is a water-soluble derivative of hesperidin designed to improve solubility and enable incorporation of hesperidin into formulations. In practice, its applications may include cosmetics/personal care as an antioxidant and formulation stabilizer; functional foods and beverages as a solubilized ingredient; nutraceuticals/dietary supplements as a soluble ingredient for capsules or liquids; and pharmaceutical formulations as an excipient or stabilizer in drug product development. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.31
    methanol 4.17
    isopropanol 0.08
    water 0.01
    ethyl acetate 0.2
    n-propanol 0.52
    acetone 0.21
    n-butanol 0.49
    acetonitrile 0.1
    DMF 8.93
    toluene 0.05
    isobutanol 0.15
    1,4-dioxane 1.79
    methyl acetate 0.3
    THF 1.84
    2-butanone 0.43
    n-pentanol 0.14
    sec-butanol 0.18
    n-hexane 0.0
    ethylene glycol 1.97
    NMP 9.4
    cyclohexane 0.0
    DMSO 8.58
    n-butyl acetate 0.06
    n-octanol 0.18
    chloroform 0.12
    n-propyl acetate 0.07
    acetic acid 1.64
    dichloromethane 0.16
    cyclohexanone 0.77
    propylene glycol 2.64
    isopropyl acetate 0.08
    DMAc 7.14
    2-ethoxyethanol 2.86
    isopentanol 0.16
    n-heptane 0.0
    ethyl formate 0.56
    1,2-dichloroethane 0.11
    n-hexanol 0.07
    2-methoxyethanol 11.9
    isobutyl acetate 0.03
    tetrachloromethane 0.01
    n-pentyl acetate 0.21
    transcutol 5.49
    n-heptanol 0.18
    ethylbenzene 0.01
    MIBK 0.1
    2-propoxyethanol 1.77
    tert-butanol 0.05
    MTBE 0.04
    2-butoxyethanol 1.76
    propionic acid 0.69
    o-xylene 0.03
    formic acid 8.16
    diethyl ether 0.12
    m-xylene 0.02
    p-xylene 0.01
    chlorobenzene 0.03
    dimethyl carbonate 0.61
    n-octane 0.0
    formamide 5.09
    cyclopentanone 1.32
    2-pentanone 0.31
    anisole 0.09
    cyclopentyl methyl ether 0.27
    gamma-butyrolactone 2.03
    1-methoxy-2-propanol 4.23
    pyridine 0.66
    3-pentanone 0.22
    furfural 3.49
    n-dodecane 0.0
    diethylene glycol 3.42
    diisopropyl ether 0.01
    tert-amyl alcohol 0.09
    acetylacetone 0.53
    n-hexadecane 0.0
    acetophenone 0.15
    methyl propionate 0.5
    isopentyl acetate 0.05
    trichloroethylene 0.28
    n-nonanol 0.19
    cyclohexanol 0.18
    benzyl alcohol 0.23
    2-ethylhexanol 0.04
    isooctanol 0.1
    dipropyl ether 0.08
    1,2-dichlorobenzene 0.03
    ethyl lactate 0.37
    propylene carbonate 0.49
    n-methylformamide 4.66
    2-pentanol 0.1
    n-pentane 0.0
    1-propoxy-2-propanol 0.82
    1-methoxy-2-propyl acetate 0.39
    2-(2-methoxypropoxy) propanol 1.32
    mesitylene 0.01
    ε-caprolactone 1.01
    p-cymene 0.01
    epichlorohydrin 1.95
    1,1,1-trichloroethane 0.02
    2-aminoethanol 2.37
    morpholine-4-carbaldehyde 12.46
    sulfolane 5.89
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.38
    n-hexyl acetate 0.24
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.43
    sec-butyl acetate 0.04
    tert-butyl acetate 0.08
    decalin 0.0
    glycerin 11.41
    diglyme 4.54
    acrylic acid 1.43
    isopropyl myristate 0.05
    n-butyric acid 0.79
    acetyl acetate 0.14
    di(2-ethylhexyl) phthalate 0.14
    ethyl propionate 0.1
    nitromethane 3.14
    1,2-diethoxyethane 0.39
    benzonitrile 0.09
    trioctyl phosphate 0.11
    1-bromopropane 0.04
    gamma-valerolactone 8.83
    n-decanol 0.1
    triethyl phosphate 0.08
    4-methyl-2-pentanol 0.03
    propionitrile 0.12
    vinylene carbonate 0.72
    1,1,2-trichlorotrifluoroethane 5.55
    DMS 0.22
    cumene 0.01
    2-octanol 0.09
    2-hexanone 0.09
    octyl acetate 0.12
    limonene 0.02
    1,2-dimethoxyethane 2.4
    ethyl orthosilicate 0.07
    tributyl phosphate 0.08
    diacetone alcohol 0.51
    N,N-dimethylaniline 0.07
    acrylonitrile 0.31
    aniline 0.17
    1,3-propanediol 3.04
    bromobenzene 0.02
    dibromomethane 0.05
    1,1,2,2-tetrachloroethane 0.23
    2-methyl-cyclohexyl acetate 0.05
    tetrabutyl urea 0.2
    diisobutyl methanol 0.02
    2-phenylethanol 0.11
    styrene 0.01
    dioctyl adipate 0.16
    dimethyl sulfate 1.69
    ethyl butyrate 0.1
    methyl lactate 2.18
    butyl lactate 0.56
    diethyl carbonate 0.06
    propanediol butyl ether 2.56
    triethyl orthoformate 0.13
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.42
    morpholine 2.72
    tert-butylamine 0.01
    n-dodecanol 0.06
    dimethoxymethane 3.52
    ethylene carbonate 0.43
    cyrene 2.25
    2-ethoxyethyl acetate 0.7
    2-ethylhexyl acetate 0.04
    1,2,4-trichlorobenzene 0.06
    4-methylpyridine 0.31
    dibutyl ether 0.08
    2,6-dimethyl-4-heptanol 0.02
    DEF 1.12
    dimethyl isosorbide 1.51
    tetrachloroethylene 0.17
    eugenol 0.63
    triacetin 0.56
    span 80 1.28
    1,4-butanediol 0.62
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.08
    methyl formate 3.28
    2-methyl-1-butanol 0.22
    n-decane 0.01
    butyronitrile 0.12
    3,7-dimethyl-1-octanol 0.06
    1-chlorooctane 0.03
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.26
    tetrahydropyran 0.34
    tert-amyl methyl ether 0.08
    2,5,8-trioxanonane 3.09
    1-hexene 0.0
    2-isopropoxyethanol 0.67
    2,2,2-trifluoroethanol 1.04
    methyl butyrate 0.19

    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