Afzelin

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  • Identifiers

    CAS number
    482-39-3

    Molecular formula
    C21H20O10

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 73.16%
    Phenolic 39.53%
    Vanilla 28.8%
    Burnt 25.62%
    Savory 22.81%
    Smoky 21.9%
    Milky 21.12%
    Bitter 20.22%
    Creamy 18.94%
    Spicy 18.39%

     

    Flavor
    Bitter 85.44%
    Odorless 30.85%
    Bland 29.82%
    Sweet-like 24.61%
    Cedarleaf 20.53%
    Parsley 19.82%
    Lovage 19.59%
    Eugenol 19.49%
    Nitrile 19.05%
    Ethyl benzoate 18.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.54 (weak base)

    Molecular weight
    432.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2517°C

    Flash point

    • 276.09 ˚C est.

  • Synonyms

    • Afzelin
    • 482-39-3
    • Kaempferin
    • Kaempferol 3-rhamnoside
    • kaempferol-3-rhamnoside
    • Kaempferol 3-O-alpha-L-rhamnoside
    • kaempferol 3-O-alpha-L-rhamnopyranoside
    • 5M86W1YH7O
    • kaempherol 3-O-alpha-rhamnoside
    • CHEBI:80790
    • DTXSID50197459
    • 4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
    • deacyl-SL0101
    • RefChem:110063
    • DTXCID10119950
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
    • Kaempferol rhamnoside
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
    • CHEMBL240528
    • KAEMPFEROL-3-O-RHAMNOSIDE
    • MFCD00210589
    • MFCD17676152
    • KAEMPFEROL 3-O-RHAMNOPYRANOSIDE
    • kaempferol-3-o-alpha-l-rhamnopyranoside
    • 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4h-Chromen-3-Yl 6-Deoxy-Alpha-L-Mannopyranoside
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
    • Kaempferol 3-O-?-L-Rhamnoside
    • Afzeloside
    • kaempferol-3-o-beta-rhamnoside
    • kaempferol-rhamnose
    • 4H-1-BENZOPYRAN-4-ONE, 3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-
    • 4H-1-Benzopyran-4-one, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
    • Afzelin (Standard)
    • kaempferol-rhamnoside
    • kaempferol-3-O-rhamnose
    • UNII-5M86W1YH7O
    • kaempferol-3-O-L-rhamnoside
    • kaempfern-3-O-alpha-rhamnoside
    • MEGxp0_000339
    • SCHEMBL1689477
    • SCHEMBL29366762
    • ACon1_000149
    • HY-N1441R
    • KAEMPFEROL 3-L-RHAMNOSIDE
    • WLZ4652
    • kaempferol-3-O-alpha-L-rahmnoside
    • 3-O-(alpha-L-rhamnosyl)kaempferol
    • Afzelin; Kaempferol-3-O-rhamnoside
    • HY-N1441
    • Afzelin, >=90% (LC/MS-UV)
    • BDBM50213414
    • MSK158204
    • AKOS032962059
    • kaempferol 3-O-alpha-L-rhampyranoside
    • EBC-618475
    • FK72069
    • afzelin; kaempherol 3-O-alpha-rhamnoside
    • KAEMPFEROL-3-.ALPHA.-L-RHAMNOSE
    • NCGC00180834-03
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one
    • SY231847
    • KAEMPHEROL 3-O-.ALPHA.-RHAMNOSIDE
    • CS-0016878
    • KAEMPFEROL 3-O-.ALPHA.-L-RHAMNOSIDE
    • NS00096994
    • 3-O-.ALPHA.-L-RHAMNOPYRANOSYLKAEMPFEROL
    • C16911
    • KAEMPFEROL 3-.ALPHA.-L-RHAMNOPYRANOSIDE
    • KAEMPFEROL 3-(6-DEOXY-L-MANNOPYRANOSIDE)
    • KAEMPFEROL 3-O-.ALPHA.-L-RHAMNOPYRANOSIDE
    • KAEMPHEROL 3-O-.ALPHA.-L-RHAMNOPYRANOSIDE
    • Q3334749
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl alpha-L-rhamnoside
    • 3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
    • 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-deoxy-alpha-L-mannopyranoside
    • 786711-07-7
    • AFE
    • 482-39-3

  • Applications

    Afzelin (CAS 482-39-3) is a natural flavonol glycoside with several practical applications: in cosmetics and personal care as an antioxidant ingredient and skin-friendly additive; in pharmaceutical and natural product research as a bioactive flavonoid with antioxidant activity and potential anti-inflammatory effects; in nutraceuticals and functional foods evaluated as a candidate functional ingredient; in analytical chemistry as a reference standard or marker for flavonoid analysis (HPLC/LC-MS); in agriculture and plant science as a quality marker for plant extracts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.98
    methanol 12.54
    isopropanol 4.87
    water 0.03
    ethyl acetate 0.43
    n-propanol 10.52
    acetone 3.52
    n-butanol 3.45
    acetonitrile 0.39
    DMF 37.38
    toluene 0.07
    isobutanol 2.57
    1,4-dioxane 4.29
    methyl acetate 1.26
    THF 13.01
    2-butanone 4.77
    n-pentanol 1.61
    sec-butanol 4.82
    n-hexane 0.01
    ethylene glycol 23.64
    NMP 38.99
    cyclohexane 0.02
    DMSO 160.48
    n-butyl acetate 0.32
    n-octanol 0.72
    chloroform 0.04
    n-propyl acetate 0.34
    acetic acid 20.27
    dichloromethane 0.06
    cyclohexanone 4.06
    propylene glycol 31.51
    isopropyl acetate 0.27
    DMAc 47.6
    2-ethoxyethanol 24.83
    isopentanol 1.37
    n-heptane 0.02
    ethyl formate 0.95
    1,2-dichloroethane 0.12
    n-hexanol 0.67
    2-methoxyethanol 83.2
    isobutyl acetate 0.13
    tetrachloromethane 0.01
    n-pentyl acetate 0.54
    transcutol 27.39
    n-heptanol 0.89
    ethylbenzene 0.03
    MIBK 0.51
    2-propoxyethanol 11.67
    tert-butanol 2.04
    MTBE 0.41
    2-butoxyethanol 7.04
    propionic acid 6.82
    o-xylene 0.06
    formic acid 32.7
    diethyl ether 0.52
    m-xylene 0.04
    p-xylene 0.04
    chlorobenzene 0.02
    dimethyl carbonate 1.27
    n-octane 0.01
    formamide 37.44
    cyclopentanone 9.11
    2-pentanone 1.44
    anisole 0.2
    cyclopentyl methyl ether 1.07
    gamma-butyrolactone 9.45
    1-methoxy-2-propanol 40.51
    pyridine 2.0
    3-pentanone 0.91
    furfural 6.47
    n-dodecane 0.01
    diethylene glycol 21.27
    diisopropyl ether 0.07
    tert-amyl alcohol 2.36
    acetylacetone 1.79
    n-hexadecane 0.01
    acetophenone 0.43
    methyl propionate 1.49
    isopentyl acetate 0.32
    trichloroethylene 0.21
    n-nonanol 0.81
    cyclohexanol 1.6
    benzyl alcohol 0.88
    2-ethylhexanol 0.26
    isooctanol 0.56
    dipropyl ether 0.43
    1,2-dichlorobenzene 0.02
    ethyl lactate 1.78
    propylene carbonate 1.32
    n-methylformamide 20.01
    2-pentanol 1.13
    n-pentane 0.02
    1-propoxy-2-propanol 6.2
    1-methoxy-2-propyl acetate 1.8
    2-(2-methoxypropoxy) propanol 6.63
    mesitylene 0.02
    ε-caprolactone 3.81
    p-cymene 0.04
    epichlorohydrin 6.08
    1,1,1-trichloroethane 0.03
    2-aminoethanol 37.6
    morpholine-4-carbaldehyde 31.64
    sulfolane 33.59
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.75
    n-hexyl acetate 0.73
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 10.47
    sec-butyl acetate 0.16
    tert-butyl acetate 0.43
    decalin 0.01
    glycerin 68.04
    diglyme 15.2
    acrylic acid 8.61
    isopropyl myristate 0.26
    n-butyric acid 3.15
    acetyl acetate 0.22
    di(2-ethylhexyl) phthalate 0.59
    ethyl propionate 0.3
    nitromethane 15.9
    1,2-diethoxyethane 1.45
    benzonitrile 0.19
    trioctyl phosphate 0.5
    1-bromopropane 0.08
    gamma-valerolactone 34.14
    n-decanol 0.54
    triethyl phosphate 0.33
    4-methyl-2-pentanol 0.34
    propionitrile 0.5
    vinylene carbonate 1.04
    1,1,2-trichlorotrifluoroethane 15.71
    DMS 0.72
    cumene 0.02
    2-octanol 0.44
    2-hexanone 0.72
    octyl acetate 0.54
    limonene 0.08
    1,2-dimethoxyethane 10.21
    ethyl orthosilicate 0.3
    tributyl phosphate 0.46
    diacetone alcohol 4.65
    N,N-dimethylaniline 0.21
    acrylonitrile 1.09
    aniline 0.53
    1,3-propanediol 30.27
    bromobenzene 0.01
    dibromomethane 0.03
    1,1,2,2-tetrachloroethane 0.27
    2-methyl-cyclohexyl acetate 0.34
    tetrabutyl urea 1.13
    diisobutyl methanol 0.16
    2-phenylethanol 0.56
    styrene 0.03
    dioctyl adipate 0.7
    dimethyl sulfate 3.98
    ethyl butyrate 0.3
    methyl lactate 8.7
    butyl lactate 2.07
    diethyl carbonate 0.19
    propanediol butyl ether 9.09
    triethyl orthoformate 0.51
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 1.53
    morpholine 15.27
    tert-butylamine 0.36
    n-dodecanol 0.34
    dimethoxymethane 11.63
    ethylene carbonate 0.72
    cyrene 7.62
    2-ethoxyethyl acetate 1.4
    2-ethylhexyl acetate 0.2
    1,2,4-trichlorobenzene 0.06
    4-methylpyridine 0.63
    dibutyl ether 0.34
    2,6-dimethyl-4-heptanol 0.16
    DEF 3.23
    dimethyl isosorbide 6.63
    tetrachloroethylene 0.19
    eugenol 2.22
    triacetin 1.65
    span 80 5.36
    1,4-butanediol 7.1
    1,1-dichloroethane 0.04
    2-methyl-1-pentanol 0.82
    methyl formate 7.99
    2-methyl-1-butanol 1.92
    n-decane 0.02
    butyronitrile 0.33
    3,7-dimethyl-1-octanol 0.42
    1-chlorooctane 0.08
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 4.19
    tetrahydropyran 1.82
    tert-amyl methyl ether 0.59
    2,5,8-trioxanonane 11.0
    1-hexene 0.05
    2-isopropoxyethanol 6.35
    2,2,2-trifluoroethanol 4.25
    methyl butyrate 0.59

    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