Kaempferol-3-O-Rutinoside

Overview IFRA Request a quote

  • Identifiers

    CAS number
    17650-84-9

    Molecular formula
    C27H30O15

    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=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 77.75%
    Vanilla 28.49%
    Phenolic 26.07%
    Sweet 22.74%
    Savory 21.98%
    Milky 21.02%
    Burnt 20.07%
    Smoky 18.87%
    Bitter 18.86%
    Creamy 17.6%

     

    Flavor
    Bitter 74.08%
    Odorless 34.76%
    Bland 32.77%
    Sweet-like 27.64%
    Cedarleaf 20.22%
    Very mild 19.65%
    Parsley 19.33%
    Eugenol 19.33%
    Very slight 19.21%
    Lovage 18.97%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    7.83 (neutral)

    Molecular weight
    594.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5424°C

    Flash point

    • 297.33 ˚C est.

  • Synonyms

    • Nicotiflorin
    • 17650-84-9
    • Kaempferol-3-O-rutinoside
    • Nictoflorin
    • NICOTIFLOROSIDE
    • Kaempferol 3-Rutinoside
    • Kaempferol-3-O-beta-rutinoside
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
    • 4056D20K3H
    • kaempferol 3-O-(6''-O-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside
    • 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-one
    • RefChem:40126
    • kaempferol-3-O-alpha-L-rhamanopyranosyl-(1'''-6'')-beta-D-glucopyranoside
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((2S,5S)-3,4,5-trihydroxy-6-(((2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-one
    • Kaempferol-3-rutinoside
    • Kaempferol 3-O-rutinoside
    • MFCD03427292
    • Kaempferol 3-O-beta-rutinoside
    • 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
    • Flavone, 3,4',5,7-tetrahydroxy-, 3-rhamnoglucoside
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
    • Kaempferol 3-O-b -Rutinoside (Nicotiflorin)
    • Nicotiflorine
    • Kaempferol 3-O-|A -rutinoside
    • UNII-4056D20K3H
    • 3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ss-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Nicotiflorin; 3,4',5,7-Tetrahydroxyflavone 3-rhamnoglucoside
    • KAEMPFEROL 3-RHAMNOGLUCOSIDE
    • kampferol-3-rutinoside
    • Nicotiflorin (Standard)
    • kaemferol-3-O-rutinoside
    • kaempferol 3-O-rutenoside
    • kaempferol-3-rhamnoglucoside
    • Kaempferol 3-rhamno-glucoside
    • MLS000563045
    • SCHEMBL240355
    • CHEMBL498879
    • MEGxp0_000024
    • orb1300225
    • SCHEMBL29403154
    • ACon1_002178
    • CHEBI:69657
    • HY-N1475R
    • DTXSID50938804
    • kaempferol-3-O-rhamnosylglucoside
    • kaempferol-3-O-beta-D-rutinoside
    • HMS2268M08
    • kaempferol-3-O-rhamnosyl-glucoside
    • HY-N1475
    • MSK40328
    • BDBM50378581
    • s3267
    • AKOS032962209
    • Aempferol-3-O-rutinoside(discontinued)
    • EBC-459092
    • FK65430
    • KAEMPFEROL 3-.BETA.-RUTINOSIDE
    • KAEMPFEROL 3-O-beta-D-RUTINOSIDE
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
    • AC-34731
    • AS-35049
    • DA-76182
    • KAEMPFEROL 3-O-.BETA.-RUTINOSIDE
    • Kaempferol-3-O-Rutinoside (Nicotiflorin)
    • SMR001215820
    • SY073639
    • KAEMPFEROL 3-O-.BETA.-D-RUTINOSIDE
    • kaempferol-3-O-rhamnose-(1->6)-glucoside
    • CS-0016975
    • NS00097624
    • C21833
    • Kaempferol 3-O-beta -rutinoside, >=98.0% (HPLC)
    • Q23058965
    • 3-O-[6-O-(alpha-L-rhamnosyl)-beta-D-glucosyl]kaempferol
    • kaempferol 3-O-[6-O-(alpha-L-rhamnosyl)-beta-D-glucoside]
    • kaempferol-3-O-alpha-L-rhamnosyl-(1->6)-beta-D-glucoside
    • 3-O-(6''-O-(alpha-L-rhamnosyl)-beta-D-glucosyl)kaempferol
    • KAEMPFEROL-3-O-RUTINOSIDE (CONSTITUENT OF GINKGO) [DSC]
    • kaempferol 3-O-alpha-L-rhamnopyranosyl(1->6)-beta-D-glucopyranoside
    • kaempferol-3-O-alpha-L-rhamnopyranosyl-(1-6)-beta-D-glucopyranoside
    • Rutoside Trihydrate EP Impurity B (Kaempferol-3-O-Beta-Rutinoside)
    • kaempferal-3-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
    • KAEMPFEROL 3-O-.ALPHA.-L-RHAMNOPYRANOSYL-.BETA.-D-GLUCOPYRANOSIDE
    • kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
    • kaempferol-3-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
    • 5,7,4'-trihydroxyflavonol-3-O-beta-D-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
    • KAEMPFEROL 3-O-(.ALPHA.-L-RHAMNOPYRANOSYL-(1->6)-.BETA.-D-GLUCOPYRANOSIDE)
    • KAEMPFEROL 3-O-.BETA.-D-(6''-O-.ALPHA.-L-RHAMNOPYRANOSYL)GLUCOPYRANOSIDE
    • 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
    • 4H-1-BENZOPYRAN-4-ONE, 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-
    • 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
    • 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
    • 17650-84-9

  • Applications

    Kaempferol-3-O-Rutinoside (CAS 17650-84-9) is a natural flavonol glycoside that is examined for applications in cosmetics and personal care as an antioxidant and stabilizer in formulations; it is also studied as a precursor or derivative for flavonoid synthesis and as a reference standard in HPLC analytical methods. In materials and coatings, it may be evaluated as a natural additive to enhance oxidative stability of plastics and coatings. In food and nutraceutical contexts, it can occur in plant extracts and is considered for development of plant-derived dietary supplements. Additionally, in agricultural research and chemometrics, it serves as a chemotaxonomic marker and analytical reference.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.9
    methanol 16.34
    isopropanol 1.56
    water 0.09
    ethyl acetate 0.12
    n-propanol 3.91
    acetone 1.05
    n-butanol 1.28
    acetonitrile 0.17
    DMF 19.91
    toluene 0.05
    isobutanol 0.74
    1,4-dioxane 4.59
    methyl acetate 0.46
    THF 8.03
    2-butanone 1.19
    n-pentanol 0.63
    sec-butanol 1.21
    n-hexane 0.0
    ethylene glycol 16.1
    NMP 20.18
    cyclohexane 0.01
    DMSO 41.1
    n-butyl acetate 0.08
    n-octanol 0.41
    chloroform 0.06
    n-propyl acetate 0.1
    acetic acid 9.89
    dichloromethane 0.1
    cyclohexanone 1.37
    propylene glycol 19.21
    isopropyl acetate 0.07
    DMAc 17.16
    2-ethoxyethanol 10.43
    isopentanol 0.36
    n-heptane 0.01
    ethyl formate 0.5
    1,2-dichloroethane 0.11
    n-hexanol 0.24
    2-methoxyethanol 36.15
    isobutyl acetate 0.04
    tetrachloromethane 0.01
    n-pentyl acetate 0.29
    transcutol 12.4
    n-heptanol 0.47
    ethylbenzene 0.01
    MIBK 0.11
    2-propoxyethanol 4.29
    tert-butanol 0.41
    MTBE 0.12
    2-butoxyethanol 3.71
    propionic acid 2.26
    o-xylene 0.03
    formic acid 24.76
    diethyl ether 0.26
    m-xylene 0.02
    p-xylene 0.01
    chlorobenzene 0.02
    dimethyl carbonate 0.54
    n-octane 0.01
    formamide 18.28
    cyclopentanone 3.18
    2-pentanone 0.39
    anisole 0.09
    cyclopentyl methyl ether 0.43
    gamma-butyrolactone 3.73
    1-methoxy-2-propanol 12.77
    pyridine 1.3
    3-pentanone 0.27
    furfural 3.41
    n-dodecane 0.0
    diethylene glycol 9.12
    diisopropyl ether 0.02
    tert-amyl alcohol 0.47
    acetylacetone 0.5
    n-hexadecane 0.01
    acetophenone 0.15
    methyl propionate 0.45
    isopentyl acetate 0.07
    trichloroethylene 0.17
    n-nonanol 0.43
    cyclohexanol 0.51
    benzyl alcohol 0.39
    2-ethylhexanol 0.08
    isooctanol 0.22
    dipropyl ether 0.14
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.54
    propylene carbonate 0.52
    n-methylformamide 9.98
    2-pentanol 0.3
    n-pentane 0.01
    1-propoxy-2-propanol 1.9
    1-methoxy-2-propyl acetate 0.42
    2-(2-methoxypropoxy) propanol 2.59
    mesitylene 0.01
    ε-caprolactone 1.41
    p-cymene 0.01
    epichlorohydrin 3.0
    1,1,1-trichloroethane 0.01
    2-aminoethanol 17.83
    morpholine-4-carbaldehyde 21.51
    sulfolane 11.22
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.23
    n-hexyl acetate 0.35
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 5.03
    sec-butyl acetate 0.05
    tert-butyl acetate 0.08
    decalin 0.0
    glycerin 41.55
    diglyme 6.95
    acrylic acid 3.8
    isopropyl myristate 0.08
    n-butyric acid 1.02
    acetyl acetate 0.07
    di(2-ethylhexyl) phthalate 0.22
    ethyl propionate 0.08
    nitromethane 6.04
    1,2-diethoxyethane 0.68
    benzonitrile 0.09
    trioctyl phosphate 0.18
    1-bromopropane 0.05
    gamma-valerolactone 16.02
    n-decanol 0.26
    triethyl phosphate 0.07
    4-methyl-2-pentanol 0.08
    propionitrile 0.18
    vinylene carbonate 0.52
    1,1,2-trichlorotrifluoroethane 8.04
    DMS 0.25
    cumene 0.01
    2-octanol 0.21
    2-hexanone 0.21
    octyl acetate 0.23
    limonene 0.03
    1,2-dimethoxyethane 4.71
    ethyl orthosilicate 0.07
    tributyl phosphate 0.12
    diacetone alcohol 0.97
    N,N-dimethylaniline 0.07
    acrylonitrile 0.41
    aniline 0.26
    1,3-propanediol 14.23
    bromobenzene 0.01
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.18
    2-methyl-cyclohexyl acetate 0.08
    tetrabutyl urea 0.35
    diisobutyl methanol 0.04
    2-phenylethanol 0.18
    styrene 0.02
    dioctyl adipate 0.26
    dimethyl sulfate 1.44
    ethyl butyrate 0.08
    methyl lactate 2.9
    butyl lactate 0.88
    diethyl carbonate 0.05
    propanediol butyl ether 5.89
    triethyl orthoformate 0.14
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.51
    morpholine 11.44
    tert-butylamine 0.08
    n-dodecanol 0.14
    dimethoxymethane 5.67
    ethylene carbonate 0.34
    cyrene 3.95
    2-ethoxyethyl acetate 0.85
    2-ethylhexyl acetate 0.05
    1,2,4-trichlorobenzene 0.03
    4-methylpyridine 0.36
    dibutyl ether 0.14
    2,6-dimethyl-4-heptanol 0.04
    DEF 1.14
    dimethyl isosorbide 2.09
    tetrachloroethylene 0.13
    eugenol 0.8
    triacetin 0.73
    span 80 2.93
    1,4-butanediol 3.77
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.24
    methyl formate 5.11
    2-methyl-1-butanol 0.53
    n-decane 0.01
    butyronitrile 0.12
    3,7-dimethyl-1-octanol 0.13
    1-chlorooctane 0.04
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 1.41
    tetrahydropyran 1.14
    tert-amyl methyl ether 0.15
    2,5,8-trioxanonane 4.9
    1-hexene 0.02
    2-isopropoxyethanol 2.38
    2,2,2-trifluoroethanol 2.26
    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