Kaempferol 3-O-sophoroside 7-O-rhamnoside

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  • Identifiers

    CAS number
    93098-79-4

    Molecular formula
    C33H40O20

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=C(C=C6)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 77.83%
    Sweet 28.86%
    Vanilla 28.15%
    Milky 20.94%
    Savory 20.54%
    Phenolic 20.24%
    Bitter 18.5%
    Creamy 17.2%
    Burnt 17.11%
    Smoky 16.81%

     

    Flavor
    Bitter 68.6%
    Odorless 37.83%
    Bland 32.52%
    Sweet-like 29.83%
    Very mild 21.4%
    Cedarleaf 20.09%
    Very slight 19.94%
    Cauliflower 19.42%
    Eugenol 19.38%
    Parsley 19.17%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -2.2

    pKa est.
    7.08 (neutral)

    Molecular weight
    756.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    5849°C

    Flash point

    • 293.86 ˚C est.

  • Synonyms

    • 93098-79-4
    • DTXSID201269623
    • Kaempferol 3-O-sophoroside 7-O-rhamnoside
    • RefChem:1087941
    • DTXCID901700240
    • Kaempferol 3-sophoroside 7-rhamnoside
    • Kaempferol 3-sophoroside-7-rhamnoside
    • kaempferol 3-O-sophoroside-7-O-rhamnoside
    • 3-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
    • 3-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2
    • orb1684485
    • SCHEMBL31720479
    • GLXC-13646
    • HY-N2226
    • AKOS037515135
    • FS-7100
    • DA-74709
    • Kaempferol 3-?Sophoroside-?7-?rhamnoside
    • CS-0019549
    • E88728
    • kaempferol 3-O-beta-D-sophoroside-7-O-alpha-L-rhamnoside
    • kaempferol 3-O-beta-D-sophoroside-7-O-alpha-L-rhamnopyranoside
    • kaempferol 3-O-beta-D-glucosyl(1->2)-beta-D-glucosyl-7-O-alpha-L-rhamnoside
    • kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside-7-O-alpha-L-rhamnoside
    • kaempferol 3-O-beta-glucopyranosyl(1->2)-beta-glucopyranoside-7-O-alpha-rhamnopyranoside
    • 7-[(6-Deoxy-|A-L-mannopyranosyl)oxy]-3-[(2-O-|A-D-glucopyranosyl-|A-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
    • 7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
    • 93098-79-4

  • Applications

    Kaempferol 3-O-sophoroside 7-O-rhamnoside (CAS 93098-79-4) is a plant-derived flavonoid glycoside with applications in several industries where its antioxidant properties and chemical functionality are relevant: in cosmetics and personal care as an antioxidant and stabilizer in formulations; in food processing as a natural antioxidant that can help preserve quality; in agriculture as a bioactive plant metabolite under evaluation for crop protection or plant health products; in industrial manufacturing as an intermediate for the synthesis of flavonoid derivatives; in coatings and inks or polymer applications as an antioxidant additive or a precursor to dye-related compounds; in pharmaceutical development as a reference compound and starting point for exploration of flavonoid-based leads.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.7
    methanol 8.5
    isopropanol 0.95
    water 0.1
    ethyl acetate 0.14
    n-propanol 1.89
    acetone 0.66
    n-butanol 0.78
    acetonitrile 0.17
    DMF 11.72
    toluene 0.07
    isobutanol 0.46
    1,4-dioxane 4.09
    methyl acetate 0.44
    THF 6.08
    2-butanone 0.82
    n-pentanol 0.46
    sec-butanol 0.74
    n-hexane 0.0
    ethylene glycol 7.92
    NMP 13.69
    cyclohexane 0.01
    DMSO 20.29
    n-butyl acetate 0.09
    n-octanol 0.32
    chloroform 0.1
    n-propyl acetate 0.11
    acetic acid 5.67
    dichloromethane 0.16
    cyclohexanone 1.01
    propylene glycol 8.53
    isopropyl acetate 0.08
    DMAc 10.68
    2-ethoxyethanol 5.34
    isopentanol 0.25
    n-heptane 0.01
    ethyl formate 0.46
    1,2-dichloroethane 0.15
    n-hexanol 0.19
    2-methoxyethanol 16.14
    isobutyl acetate 0.04
    tetrachloromethane 0.02
    n-pentyl acetate 0.3
    transcutol 7.72
    n-heptanol 0.36
    ethylbenzene 0.02
    MIBK 0.1
    2-propoxyethanol 2.76
    tert-butanol 0.28
    MTBE 0.11
    2-butoxyethanol 2.55
    propionic acid 1.43
    o-xylene 0.04
    formic acid 14.56
    diethyl ether 0.25
    m-xylene 0.03
    p-xylene 0.02
    chlorobenzene 0.03
    dimethyl carbonate 0.54
    n-octane 0.01
    formamide 10.08
    cyclopentanone 2.17
    2-pentanone 0.31
    anisole 0.1
    cyclopentyl methyl ether 0.45
    gamma-butyrolactone 2.68
    1-methoxy-2-propanol 6.39
    pyridine 1.22
    3-pentanone 0.25
    furfural 2.84
    n-dodecane 0.01
    diethylene glycol 5.47
    diisopropyl ether 0.02
    tert-amyl alcohol 0.3
    acetylacetone 0.44
    n-hexadecane 0.01
    acetophenone 0.16
    methyl propionate 0.42
    isopentyl acetate 0.07
    trichloroethylene 0.22
    n-nonanol 0.32
    cyclohexanol 0.4
    benzyl alcohol 0.36
    2-ethylhexanol 0.07
    isooctanol 0.18
    dipropyl ether 0.15
    1,2-dichlorobenzene 0.02
    ethyl lactate 0.4
    propylene carbonate 0.49
    n-methylformamide 5.95
    2-pentanol 0.24
    n-pentane 0.01
    1-propoxy-2-propanol 1.31
    1-methoxy-2-propyl acetate 0.38
    2-(2-methoxypropoxy) propanol 1.63
    mesitylene 0.01
    ε-caprolactone 1.12
    p-cymene 0.02
    epichlorohydrin 2.48
    1,1,1-trichloroethane 0.02
    2-aminoethanol 7.31
    morpholine-4-carbaldehyde 14.23
    sulfolane 7.38
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.06
    n-hexyl acetate 0.32
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.1
    sec-butyl acetate 0.05
    tert-butyl acetate 0.08
    decalin 0.0
    glycerin 19.82
    diglyme 4.73
    acrylic acid 2.55
    isopropyl myristate 0.08
    n-butyric acid 0.73
    acetyl acetate 0.08
    di(2-ethylhexyl) phthalate 0.16
    ethyl propionate 0.09
    nitromethane 4.08
    1,2-diethoxyethane 0.6
    benzonitrile 0.11
    trioctyl phosphate 0.14
    1-bromopropane 0.06
    gamma-valerolactone 9.58
    n-decanol 0.19
    triethyl phosphate 0.06
    4-methyl-2-pentanol 0.06
    propionitrile 0.17
    vinylene carbonate 0.51
    1,1,2-trichlorotrifluoroethane 5.67
    DMS 0.25
    cumene 0.01
    2-octanol 0.18
    2-hexanone 0.19
    octyl acetate 0.19
    limonene 0.03
    1,2-dimethoxyethane 3.07
    ethyl orthosilicate 0.06
    tributyl phosphate 0.1
    diacetone alcohol 0.65
    N,N-dimethylaniline 0.09
    acrylonitrile 0.35
    aniline 0.27
    1,3-propanediol 6.43
    bromobenzene 0.01
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 0.23
    2-methyl-cyclohexyl acetate 0.07
    tetrabutyl urea 0.27
    diisobutyl methanol 0.03
    2-phenylethanol 0.19
    styrene 0.02
    dioctyl adipate 0.21
    dimethyl sulfate 1.3
    ethyl butyrate 0.09
    methyl lactate 1.99
    butyl lactate 0.7
    diethyl carbonate 0.05
    propanediol butyl ether 3.93
    triethyl orthoformate 0.13
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.44
    morpholine 7.21
    tert-butylamine 0.07
    n-dodecanol 0.11
    dimethoxymethane 4.12
    ethylene carbonate 0.34
    cyrene 2.65
    2-ethoxyethyl acetate 0.83
    2-ethylhexyl acetate 0.05
    1,2,4-trichlorobenzene 0.04
    4-methylpyridine 0.4
    dibutyl ether 0.13
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.95
    dimethyl isosorbide 1.55
    tetrachloroethylene 0.17
    eugenol 0.64
    triacetin 0.59
    span 80 1.91
    1,4-butanediol 1.95
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 0.18
    methyl formate 3.49
    2-methyl-1-butanol 0.36
    n-decane 0.01
    butyronitrile 0.13
    3,7-dimethyl-1-octanol 0.1
    1-chlorooctane 0.05
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.99
    tetrahydropyran 0.96
    tert-amyl methyl ether 0.13
    2,5,8-trioxanonane 3.24
    1-hexene 0.02
    2-isopropoxyethanol 1.53
    2,2,2-trifluoroethanol 1.72
    methyl butyrate 0.17

    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