Saponarin

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  • Identifiers

    CAS number
    20310-89-8

    Molecular formula
    C27H30O15

    SMILES
    C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)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)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 75.06%
    Sweet 32.64%
    Vanilla 30.33%
    Phenolic 25.5%
    Bitter 21.59%
    Milky 20.34%
    Savory 19.83%
    Burnt 18.29%
    Smoky 18.16%
    Creamy 17.98%

     

    Flavor
    Bitter 76.07%
    Odorless 37.05%
    Bland 31.57%
    Sweet-like 28.38%
    Very mild 21.02%
    Cedarleaf 20.02%
    Very slight 19.5%
    Eugenol 19.13%
    Parsley 19.04%
    Cauliflower 18.92%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -1.6

    pKa est.
    5.9 (weak acid)

    Molecular weight
    594.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5883°C

    Flash point

    • 331.1 ˚C est.

  • Synonyms

    • Saponarin
    • 20310-89-8
    • Saponaretin-7-O-glucoside
    • Apigenin 6-C-glucosyl-7-O-glucoside
    • 3081Z76OX9
    • DTXSID10174201
    • 5-hydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
    • 5-hydroxy-2-(4-hydroxyphenyl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)-7-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxy-chromen-4-one
    • RefChem:181255
    • DTXCID5096692
    • Isovitexin-7-O-glucoside
    • Isovitexin-7-O-beta-D-glucopyranoside
    • isovitexin 7-O-glucoside
    • MFCD00238679
    • 5-hydroxy-2-(4-hydroxyphenyl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
    • 4H-1-Benzopyran-4-one, 6-.beta.-D-glucopyranosyl-7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-
    • 5-hydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    • Petrocomoside
    • AC1L9B2G
    • UNII-3081Z76OX9
    • Saponarin (Standard)
    • SAPONARIN [MI]
    • 7-O-GLUCOSYLISOVITEXIN
    • ISOVITEXIN 7-GLUCOSIDE
    • orb1684240
    • SCHEMBL2489122
    • CHEMBL4640510
    • SCHEMBL31139495
    • CHEBI:75439
    • HY-N5083R
    • 7-O-(beta-D-glucosyl)isovitexin
    • HY-N5083
    • MSK158904
    • AKOS037514829
    • CCG-208416
    • ISOVITEXIN 7-.BETA.-D-GLUCOSIDE
    • DA-77678
    • MS-30560
    • 6-C-GLUCOSYL-7-O-GLUCOSYLAPIGENIN
    • CS-0032401
    • ISOVITEXIN 7-.BETA.-D-GLUCOPYRANOSIDE
    • C08064
    • SR-05000002259
    • SR-05000002259-2
    • Q63408652
    • SaponarinSaponaretin-7-O-glucoside; Petrocomoside; Isovitexin-7-O-beta-D-glucopyranoside
    • (1S)-1,5-Anhydro-1-[7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol
    • (1S)-1,5-anhydro-1-[7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol
    • 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-beta-L-mannofuranosyl)-beta-O-galactofuranosyl)oxy)-7-((6-deoxy-beta-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-
    • 6-.BETA.-D-GLUCOPYRANOSYL-7-(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
    • 20310-89-8

  • Applications

    Saponarin (CAS 20310-89-8) is a natural flavone glycoside studied as a plant-derived polyphenol with antioxidant activity and color properties. In cosmetics and personal care, it is considered an antioxidant constituent that can help stabilize product color. In food processing and nutraceuticals, saponarin is evaluated as a phytochemical ingredient with potential antioxidant benefits and may be included from plant sources. In coatings and inks, it can serve as a natural colorant and antioxidant additive for surfaces and printing. Additionally, saponarin features in natural product chemistry and plant extract research as a bioactive constituent, with usage dependent on source material and extraction processes, and subject to local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.01
    methanol 5.49
    isopropanol 0.21
    water 0.08
    ethyl acetate 0.03
    n-propanol 0.6
    acetone 0.18
    n-butanol 0.21
    acetonitrile 0.03
    DMF 7.27
    toluene 0.01
    isobutanol 0.13
    1,4-dioxane 0.84
    methyl acetate 0.09
    THF 1.08
    2-butanone 0.2
    n-pentanol 0.1
    sec-butanol 0.19
    n-hexane 0.0
    ethylene glycol 5.96
    NMP 6.9
    cyclohexane 0.0
    DMSO 9.83
    n-butyl acetate 0.02
    n-octanol 0.08
    chloroform 0.01
    n-propyl acetate 0.02
    acetic acid 2.21
    dichloromethane 0.02
    cyclohexanone 0.23
    propylene glycol 6.6
    isopropyl acetate 0.01
    DMAc 5.5
    2-ethoxyethanol 2.73
    isopentanol 0.06
    n-heptane 0.0
    ethyl formate 0.11
    1,2-dichloroethane 0.02
    n-hexanol 0.04
    2-methoxyethanol 12.03
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.05
    transcutol 3.73
    n-heptanol 0.1
    ethylbenzene 0.0
    MIBK 0.02
    2-propoxyethanol 1.25
    tert-butanol 0.07
    MTBE 0.02
    2-butoxyethanol 1.24
    propionic acid 0.51
    o-xylene 0.01
    formic acid 11.16
    diethyl ether 0.05
    m-xylene 0.01
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.15
    n-octane 0.0
    formamide 7.07
    cyclopentanone 0.53
    2-pentanone 0.07
    anisole 0.02
    cyclopentyl methyl ether 0.09
    gamma-butyrolactone 0.68
    1-methoxy-2-propanol 3.64
    pyridine 0.23
    3-pentanone 0.06
    furfural 0.9
    n-dodecane 0.0
    diethylene glycol 3.39
    diisopropyl ether 0.0
    tert-amyl alcohol 0.08
    acetylacetone 0.1
    n-hexadecane 0.0
    acetophenone 0.03
    methyl propionate 0.1
    isopentyl acetate 0.01
    trichloroethylene 0.03
    n-nonanol 0.08
    cyclohexanol 0.08
    benzyl alcohol 0.08
    2-ethylhexanol 0.02
    isooctanol 0.05
    dipropyl ether 0.04
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.16
    propylene carbonate 0.11
    n-methylformamide 3.02
    2-pentanol 0.05
    n-pentane 0.0
    1-propoxy-2-propanol 0.54
    1-methoxy-2-propyl acetate 0.11
    2-(2-methoxypropoxy) propanol 0.84
    mesitylene 0.0
    ε-caprolactone 0.26
    p-cymene 0.0
    epichlorohydrin 0.46
    1,1,1-trichloroethane 0.0
    2-aminoethanol 5.68
    morpholine-4-carbaldehyde 7.59
    sulfolane 2.86
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.17
    n-hexyl acetate 0.07
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.53
    sec-butyl acetate 0.01
    tert-butyl acetate 0.02
    decalin 0.0
    glycerin 19.53
    diglyme 2.48
    acrylic acid 1.06
    isopropyl myristate 0.02
    n-butyric acid 0.22
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.05
    ethyl propionate 0.02
    nitromethane 1.42
    1,2-diethoxyethane 0.13
    benzonitrile 0.02
    trioctyl phosphate 0.04
    1-bromopropane 0.01
    gamma-valerolactone 3.74
    n-decanol 0.05
    triethyl phosphate 0.02
    4-methyl-2-pentanol 0.02
    propionitrile 0.04
    vinylene carbonate 0.13
    1,1,2-trichlorotrifluoroethane 2.3
    DMS 0.06
    cumene 0.0
    2-octanol 0.04
    2-hexanone 0.04
    octyl acetate 0.04
    limonene 0.01
    1,2-dimethoxyethane 1.19
    ethyl orthosilicate 0.02
    tributyl phosphate 0.03
    diacetone alcohol 0.21
    N,N-dimethylaniline 0.02
    acrylonitrile 0.09
    aniline 0.05
    1,3-propanediol 3.81
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.03
    2-methyl-cyclohexyl acetate 0.02
    tetrabutyl urea 0.08
    diisobutyl methanol 0.01
    2-phenylethanol 0.04
    styrene 0.0
    dioctyl adipate 0.05
    dimethyl sulfate 0.46
    ethyl butyrate 0.02
    methyl lactate 0.94
    butyl lactate 0.23
    diethyl carbonate 0.01
    propanediol butyl ether 1.99
    triethyl orthoformate 0.04
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.13
    morpholine 2.06
    tert-butylamine 0.01
    n-dodecanol 0.03
    dimethoxymethane 1.52
    ethylene carbonate 0.08
    cyrene 1.28
    2-ethoxyethyl acetate 0.17
    2-ethylhexyl acetate 0.01
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.07
    dibutyl ether 0.03
    2,6-dimethyl-4-heptanol 0.01
    DEF 0.28
    dimethyl isosorbide 0.63
    tetrachloroethylene 0.03
    eugenol 0.25
    triacetin 0.18
    span 80 0.85
    1,4-butanediol 0.9
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.04
    methyl formate 1.43
    2-methyl-1-butanol 0.1
    n-decane 0.0
    butyronitrile 0.02
    3,7-dimethyl-1-octanol 0.02
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.23
    tetrahydropyran 0.16
    tert-amyl methyl ether 0.03
    2,5,8-trioxanonane 1.64
    1-hexene 0.0
    2-isopropoxyethanol 0.52
    2,2,2-trifluoroethanol 0.68
    methyl butyrate 0.04

    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