Vitexin

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  • Identifiers

    CAS number
    3681-93-4

    Molecular formula
    C21H20O10

    SMILES
    C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 72.82%
    Phenolic 38.82%
    Vanilla 28.41%
    Sweet 24.0%
    Bitter 23.55%
    Burnt 22.57%
    Savory 20.92%
    Smoky 20.87%
    Milky 19.48%
    Creamy 18.63%

     

    Flavor
    Bitter 85.58%
    Odorless 33.86%
    Bland 27.83%
    Sweet-like 25.13%
    Cedarleaf 20.35%
    Mild 19.43%
    Lovage 19.41%
    Nitrile 19.23%
    Parsley 19.2%
    Eugenol 18.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    7.54 (neutral)

    Molecular weight
    432.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3970°C

    Flash point

    • 310.27 ˚C est.

  • Synonyms

    • Vitexin
    • 3681-93-4
    • Apigenin 8-C-glucoside
    • 9VP70K75OK
    • DTXSID90190287
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
    • CHEBI:16954
    • 4H-1-Benzopyran-4-one, 8-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-
    • 8-glycosylapigenin
    • (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol
    • 8-glycosyl-apigenin
    • (1S)-1,5-anhydro-1-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl)-D-glucitol
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one
    • RefChem:53003
    • DTXCID00112778
    • apigenin-8-c-beta-d-glucopyranoside
    • 222-963-8
    • Apigenin-8-C-glucoside
    • 8-beta-D-Glucopyranosyl-apigenin
    • C21H20O10
    • MFCD00017456
    • ORIENTOSIDE
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-4H-chromen-4-one
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-beta-D-glucopyranosyl-2-(4-hydroxyphenyl)-
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
    • Flavone, 8-D-glucosyl-4',5,7-trihydroxy-
    • 4H-1-Benzopyran-4-one, 8-.beta.-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-
    • EINECS 222-963-8
    • UNII-9VP70K75OK
    • Oritentoside
    • Vitx
    • SGEWCQFRYRRZDC-VPRICQMDSA-N
    • 8-glycosyl apigenin
    • Vitexin (Standard)
    • VITEXINA
    • VITEXINE
    • 8-C-glucosyl apigenin
    • VITEXIN [USP-RS]
    • VITEXIN [WHO-DD]
    • Vitexin, analytical standard
    • 8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
    • SCHEMBL25277
    • 8-C-b-D-Glucopyranosylapigenin
    • CHEMBL487417
    • orb1300221
    • SCHEMBL29572351
    • HY-N0013R
    • Apigenin 8-C-.beta.-D-glucoside
    • HY-N0013
    • apigenin 8-C-beta-D-glucopyranoside
    • BDBM50362886
    • HB4123
    • MSK158047
    • s9192
    • AKOS025311479
    • AC-6086
    • CCG-208516
    • EBC-457101
    • MV08032
    • NCGC00163642-01
    • Vitexin 100 microg/mL in Acetone:Water
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
    • AS-55909
    • 8-D-Glucosyl-4',5',7'-trihydroxy-flavone
    • CS-0007090
    • NS00018314
    • APIGENIN-8-C-.BETA.-D-GLUCOPYRANOSIDE
    • C01460
    • 681V934
    • Q259075
    • Vitexin, primary pharmaceutical reference standard
    • 5,7,4'-Trihydroxyflavone 8-C-.beta.-D-glucopyranoside
    • Vitexin, United States Pharmacopeia (USP) Reference Standard
    • FLAVONE, 8-.BETA.-D-GLUCOPYRANOSYL-4',5,7-TRIHYDROXY-
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-.beta.-D-glucopyranosyl-2-(4-hydroxyphenyl)-
    • (1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-D-glucitol
    • 3681-93-4

  • Applications

    Vitexin (CAS 3681-93-4) is a natural flavone glycoside found in a range of plants and studied for antioxidant activity and bioactive effects, and is commonly considered as an active ingredient in cosmetics/personal care where it can help stabilize formulations and protect substrates from oxidation. In pharmaceuticals and nutraceuticals, vitexin is investigated as a bioactive constituent with potential for use in botanical products or plant-derived dietary supplements. In food processing, it may be evaluated as a phytochemical ingredient or functional dietary additive to improve antioxidant profile and physiological effects of products, subject to regulatory limits. In the materials industry, vitexin is viewed as a stabilizing additive for polymers, coatings, and inks to enhance oxidative stability and product longevity. In analytical research, vitexin is used as a reference standard or analytical sample in plant extract studies and compound identification. Real-world applications depend on source material, standardization, and local regulatory frameworks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.14
    methanol 5.17
    isopropanol 0.44
    water 0.07
    ethyl acetate 0.05
    n-propanol 1.26
    acetone 0.37
    n-butanol 0.34
    acetonitrile 0.06
    DMF 21.42
    toluene 0.01
    isobutanol 0.27
    1,4-dioxane 0.71
    methyl acetate 0.14
    THF 1.54
    2-butanone 0.45
    n-pentanol 0.17
    sec-butanol 0.42
    n-hexane 0.0
    ethylene glycol 18.84
    NMP 20.38
    cyclohexane 0.0
    DMSO 59.76
    n-butyl acetate 0.04
    n-octanol 0.12
    chloroform 0.0
    n-propyl acetate 0.04
    acetic acid 4.4
    dichloromethane 0.0
    cyclohexanone 0.51
    propylene glycol 18.43
    isopropyl acetate 0.03
    DMAc 18.4
    2-ethoxyethanol 7.07
    isopentanol 0.15
    n-heptane 0.01
    ethyl formate 0.12
    1,2-dichloroethane 0.01
    n-hexanol 0.1
    2-methoxyethanol 33.12
    isobutyl acetate 0.02
    tetrachloromethane 0.0
    n-pentyl acetate 0.07
    transcutol 9.53
    n-heptanol 0.19
    ethylbenzene 0.01
    MIBK 0.07
    2-propoxyethanol 3.82
    tert-butanol 0.22
    MTBE 0.04
    2-butoxyethanol 2.59
    propionic acid 1.16
    o-xylene 0.01
    formic acid 22.31
    diethyl ether 0.07
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.0
    dimethyl carbonate 0.31
    n-octane 0.0
    formamide 20.47
    cyclopentanone 1.2
    2-pentanone 0.15
    anisole 0.03
    cyclopentyl methyl ether 0.17
    gamma-butyrolactone 1.57
    1-methoxy-2-propanol 13.59
    pyridine 0.28
    3-pentanone 0.12
    furfural 1.62
    n-dodecane 0.0
    diethylene glycol 12.49
    diisopropyl ether 0.01
    tert-amyl alcohol 0.24
    acetylacetone 0.27
    n-hexadecane 0.0
    acetophenone 0.07
    methyl propionate 0.23
    isopentyl acetate 0.04
    trichloroethylene 0.02
    n-nonanol 0.15
    cyclohexanol 0.19
    benzyl alcohol 0.14
    2-ethylhexanol 0.04
    isooctanol 0.1
    dipropyl ether 0.1
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.5
    propylene carbonate 0.21
    n-methylformamide 8.07
    2-pentanol 0.11
    n-pentane 0.0
    1-propoxy-2-propanol 1.78
    1-methoxy-2-propyl acetate 0.39
    2-(2-methoxypropoxy) propanol 2.51
    mesitylene 0.01
    ε-caprolactone 0.53
    p-cymene 0.01
    epichlorohydrin 0.55
    1,1,1-trichloroethane 0.0
    2-aminoethanol 19.25
    morpholine-4-carbaldehyde 15.97
    sulfolane 10.12
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.27
    n-hexyl acetate 0.1
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.96
    sec-butyl acetate 0.02
    tert-butyl acetate 0.06
    decalin 0.0
    glycerin 64.78
    diglyme 5.81
    acrylic acid 2.21
    isopropyl myristate 0.04
    n-butyric acid 0.39
    acetyl acetate 0.03
    di(2-ethylhexyl) phthalate 0.12
    ethyl propionate 0.05
    nitromethane 3.59
    1,2-diethoxyethane 0.23
    benzonitrile 0.03
    trioctyl phosphate 0.1
    1-bromopropane 0.01
    gamma-valerolactone 7.74
    n-decanol 0.09
    triethyl phosphate 0.08
    4-methyl-2-pentanol 0.04
    propionitrile 0.08
    vinylene carbonate 0.18
    1,1,2-trichlorotrifluoroethane 4.32
    DMS 0.14
    cumene 0.0
    2-octanol 0.07
    2-hexanone 0.09
    octyl acetate 0.08
    limonene 0.02
    1,2-dimethoxyethane 2.67
    ethyl orthosilicate 0.07
    tributyl phosphate 0.08
    diacetone alcohol 0.94
    N,N-dimethylaniline 0.05
    acrylonitrile 0.2
    aniline 0.07
    1,3-propanediol 8.97
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.02
    2-methyl-cyclohexyl acetate 0.06
    tetrabutyl urea 0.26
    diisobutyl methanol 0.03
    2-phenylethanol 0.09
    styrene 0.0
    dioctyl adipate 0.13
    dimethyl sulfate 1.3
    ethyl butyrate 0.05
    methyl lactate 3.12
    butyl lactate 0.52
    diethyl carbonate 0.04
    propanediol butyl ether 3.78
    triethyl orthoformate 0.11
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.42
    morpholine 2.53
    tert-butylamine 0.04
    n-dodecanol 0.06
    dimethoxymethane 3.36
    ethylene carbonate 0.11
    cyrene 3.7
    2-ethoxyethyl acetate 0.23
    2-ethylhexyl acetate 0.03
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.08
    dibutyl ether 0.05
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.66
    dimethyl isosorbide 2.46
    tetrachloroethylene 0.02
    eugenol 0.74
    triacetin 0.39
    span 80 1.96
    1,4-butanediol 2.1
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.09
    methyl formate 2.48
    2-methyl-1-butanol 0.2
    n-decane 0.0
    butyronitrile 0.04
    3,7-dimethyl-1-octanol 0.06
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.5
    tetrahydropyran 0.22
    tert-amyl methyl ether 0.07
    2,5,8-trioxanonane 4.43
    1-hexene 0.01
    2-isopropoxyethanol 1.41
    2,2,2-trifluoroethanol 1.21
    methyl butyrate 0.09

    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