Kaempferol 7-O-neohesperidoside

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  • Identifiers

    CAS number
    17353-03-6

    Molecular formula
    C27H30O15

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 78.24%
    Vanilla 29.18%
    Phenolic 25.26%
    Sweet 22.96%
    Savory 21.59%
    Milky 21.43%
    Burnt 19.84%
    Bitter 19.21%
    Smoky 18.22%
    Creamy 17.91%

     

    Flavor
    Bitter 74.25%
    Odorless 35.57%
    Bland 32.46%
    Sweet-like 28.04%
    Very mild 20.34%
    Cedarleaf 20.28%
    Eugenol 19.45%
    Very slight 19.42%
    Parsley 19.34%
    Lovage 19.01%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    7.71 (neutral)

    Molecular weight
    594.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5486°C

    Flash point

    • 302.64 ˚C est.

  • Synonyms

    • 17353-03-6
    • Kaempferol 7-neohesperidoside
    • Kaempferol 7-O-neohesperidoside
    • 74LUK83BTP
    • 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • 7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • K 7-neo
    • RefChem:792618
    • 241-377-3
    • 7-((2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • 7-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one
    • MFCD06799437
    • Kaemp-7-neohesperidoside
    • 31921-42-3
    • Kaempferol-7-rhamnoglucoside
    • Kaempferol-7-neohesperidoside
    • Kaempferol-7-O-rhamnoglucoside
    • 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one
    • 7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
    • EINECS 241-377-3
    • Kaem-7-Glc-2pp-Man
    • Kaempferol-7-O-alpha-L-rhamnoside-D-glucoside
    • orb1682271
    • SCHEMBL27160544
    • SCHEMBL29523246
    • DTXSID70938402
    • 7-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
    • HY-N8954
    • AKOS024259124
    • FK65504
    • 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
    • DB-219941
    • CS-0149431
    • kaempferol 7-O-rhamnosyl-(1->2)-glucoside
    • Kaempferol 7-O-neohesperidoside, >=95.0% (HPLC)
    • Q6345967
    • 3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
    • 4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-
    • 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • 17353-03-6

  • Applications

    Kaempferol 7-O-neohesperidoside (CAS 17353-03-6) is a flavonol glycoside with antioxidant activity studied for a range of practical applications across industries; in cosmetics and personal care it may act as a natural active antioxidant to support formulation stability; in coatings, inks, and polymers it can serve as an antioxidant stabilizer or additive to improve oxidative durability; in analytical chemistry it is commonly used as a reference standard or analytical probe for flavonoid quantification; in pharmaceutical and natural products research it can function as a synthetic intermediate or a probe in flavonoid chemistry; in food processing or nutraceutical contexts it is evaluated as a natural antioxidant ingredient, with use governed by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.6
    methanol 9.85
    isopropanol 0.79
    water 0.1
    ethyl acetate 0.09
    n-propanol 2.25
    acetone 0.59
    n-butanol 0.85
    acetonitrile 0.1
    DMF 12.73
    toluene 0.03
    isobutanol 0.46
    1,4-dioxane 3.46
    methyl acetate 0.31
    THF 4.76
    2-butanone 0.77
    n-pentanol 0.41
    sec-butanol 0.75
    n-hexane 0.0
    ethylene glycol 10.86
    NMP 14.33
    cyclohexane 0.01
    DMSO 27.75
    n-butyl acetate 0.06
    n-octanol 0.3
    chloroform 0.03
    n-propyl acetate 0.07
    acetic acid 6.09
    dichloromethane 0.06
    cyclohexanone 0.92
    propylene glycol 13.13
    isopropyl acetate 0.05
    DMAc 11.57
    2-ethoxyethanol 7.47
    isopentanol 0.26
    n-heptane 0.01
    ethyl formate 0.36
    1,2-dichloroethane 0.07
    n-hexanol 0.16
    2-methoxyethanol 27.82
    isobutyl acetate 0.03
    tetrachloromethane 0.01
    n-pentyl acetate 0.2
    transcutol 8.35
    n-heptanol 0.33
    ethylbenzene 0.01
    MIBK 0.07
    2-propoxyethanol 3.07
    tert-butanol 0.23
    MTBE 0.08
    2-butoxyethanol 2.89
    propionic acid 1.54
    o-xylene 0.02
    formic acid 18.28
    diethyl ether 0.15
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.39
    n-octane 0.0
    formamide 12.58
    cyclopentanone 1.99
    2-pentanone 0.26
    anisole 0.06
    cyclopentyl methyl ether 0.29
    gamma-butyrolactone 2.42
    1-methoxy-2-propanol 9.18
    pyridine 0.82
    3-pentanone 0.19
    furfural 2.57
    n-dodecane 0.0
    diethylene glycol 6.58
    diisopropyl ether 0.01
    tert-amyl alcohol 0.31
    acetylacetone 0.34
    n-hexadecane 0.0
    acetophenone 0.1
    methyl propionate 0.32
    isopentyl acetate 0.05
    trichloroethylene 0.11
    n-nonanol 0.3
    cyclohexanol 0.36
    benzyl alcohol 0.27
    2-ethylhexanol 0.05
    isooctanol 0.15
    dipropyl ether 0.09
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.4
    propylene carbonate 0.39
    n-methylformamide 6.31
    2-pentanol 0.2
    n-pentane 0.01
    1-propoxy-2-propanol 1.32
    1-methoxy-2-propyl acetate 0.29
    2-(2-methoxypropoxy) propanol 1.87
    mesitylene 0.01
    ε-caprolactone 1.02
    p-cymene 0.01
    epichlorohydrin 1.98
    1,1,1-trichloroethane 0.01
    2-aminoethanol 11.94
    morpholine-4-carbaldehyde 16.71
    sulfolane 8.32
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.77
    n-hexyl acetate 0.26
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.77
    sec-butyl acetate 0.03
    tert-butyl acetate 0.06
    decalin 0.0
    glycerin 32.04
    diglyme 5.41
    acrylic acid 2.7
    isopropyl myristate 0.06
    n-butyric acid 0.77
    acetyl acetate 0.05
    di(2-ethylhexyl) phthalate 0.15
    ethyl propionate 0.06
    nitromethane 3.84
    1,2-diethoxyethane 0.43
    benzonitrile 0.06
    trioctyl phosphate 0.12
    1-bromopropane 0.03
    gamma-valerolactone 12.11
    n-decanol 0.17
    triethyl phosphate 0.06
    4-methyl-2-pentanol 0.05
    propionitrile 0.11
    vinylene carbonate 0.4
    1,1,2-trichlorotrifluoroethane 6.09
    DMS 0.18
    cumene 0.01
    2-octanol 0.14
    2-hexanone 0.13
    octyl acetate 0.16
    limonene 0.02
    1,2-dimethoxyethane 3.46
    ethyl orthosilicate 0.05
    tributyl phosphate 0.08
    diacetone alcohol 0.7
    N,N-dimethylaniline 0.05
    acrylonitrile 0.26
    aniline 0.17
    1,3-propanediol 10.57
    bromobenzene 0.01
    dibromomethane 0.03
    1,1,2,2-tetrachloroethane 0.12
    2-methyl-cyclohexyl acetate 0.05
    tetrabutyl urea 0.23
    diisobutyl methanol 0.02
    2-phenylethanol 0.12
    styrene 0.01
    dioctyl adipate 0.17
    dimethyl sulfate 1.11
    ethyl butyrate 0.06
    methyl lactate 2.23
    butyl lactate 0.63
    diethyl carbonate 0.04
    propanediol butyl ether 4.35
    triethyl orthoformate 0.1
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.36
    morpholine 8.05
    tert-butylamine 0.05
    n-dodecanol 0.09
    dimethoxymethane 3.85
    ethylene carbonate 0.26
    cyrene 2.94
    2-ethoxyethyl acetate 0.6
    2-ethylhexyl acetate 0.03
    1,2,4-trichlorobenzene 0.02
    4-methylpyridine 0.23
    dibutyl ether 0.09
    2,6-dimethyl-4-heptanol 0.02
    DEF 0.82
    dimethyl isosorbide 1.44
    tetrachloroethylene 0.09
    eugenol 0.6
    triacetin 0.51
    span 80 2.09
    1,4-butanediol 2.52
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.16
    methyl formate 3.34
    2-methyl-1-butanol 0.38
    n-decane 0.01
    butyronitrile 0.08
    3,7-dimethyl-1-octanol 0.09
    1-chlorooctane 0.03
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.9
    tetrahydropyran 0.69
    tert-amyl methyl ether 0.1
    2,5,8-trioxanonane 3.7
    1-hexene 0.01
    2-isopropoxyethanol 1.59
    2,2,2-trifluoroethanol 1.62
    methyl butyrate 0.13

    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