Isovitexin

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  • Identifiers

    CAS number
    38953-85-4

    Molecular formula
    C21H20O10

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 71.81%
    Phenolic 38.69%
    Vanilla 28.87%
    Sweet 25.41%
    Bitter 23.72%
    Burnt 22.78%
    Smoky 21.03%
    Savory 20.68%
    Milky 19.39%
    Creamy 18.77%

     

    Flavor
    Bitter 84.85%
    Odorless 33.97%
    Bland 27.91%
    Sweet-like 25.26%
    Cedarleaf 20.4%
    Mild 19.68%
    Lovage 19.45%
    Nitrile 19.29%
    Parsley 19.25%
    Eugenol 19.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    7.56 (neutral)

    Molecular weight
    432.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3811°C

    Flash point

    • 314.57 ˚C est.

  • Synonyms

    • Isovitexin
    • 38953-85-4
    • Saponaretin
    • Homovitexin
    • Apigenin-6-C-glucoside
    • 6-Glucosylapigenin
    • 6-C-Glucosylapigenin
    • Apigenin 6-C-glucoside
    • KTQ9R9MS0Q
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
    • CHEBI:18330
    • DTXSID60952152
    • 6-C-beta-D-Glucopyranosylapigenin
    • 4H-1-Benzopyran-4-one, 6-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-
    • 6-glucosyl-apigenin
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one
    • RefChem:40318
    • DTXCID501380252
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-((2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one
    • 29702-25-8
    • Isoavroside
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-4H-chromen-4-one
    • MFCD00076044
    • Avroside
    • C12H20O10
    • (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol
    • 4H-1-Benzopyran-4-one, 6-.beta.-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-
    • Saponaretin;Homovitexin
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
    • SMR001215816
    • ISOVITEXIN WITH
    • UNII-KTQ9R9MS0Q
    • CCRIS 9341
    • Isovitexin HRS
    • beta-D-isovitexin
    • Apigenin 6-C-beta-glucopyranoside
    • Isovitexin with HPLC
    • Isovitexin (Standard)
    • ISOVITEXIN?
    • 6-C-glucosyl apigenin
    • Homovitexin, Saponaretin
    • Saponaretin; Homovitexin
    • C01714
    • 6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
    • ISOVITEXIN [WHO-DD]
    • apigenin-6-C-glucopyranoside
    • MLS000563041
    • MLS002473147
    • SCHEMBL513620
    • Isovitexin, analytical standard
    • CHEMBL465360
    • Flavone, 6-beta-D-glucopyranosyl-4',5,7-trihydroxy-
    • orb1300220
    • orb1302420
    • SCHEMBL29403598
    • HY-N0773R
    • GLXC-13249
    • HMS2268O04
    • HMS3886D14
    • HY-N0773
    • Isovitexin, >=98.0% (HPLC)
    • Apigenin 6-C-beta-D-glucopyranoside
    • BDBM50486938
    • MSK158891
    • s9035
    • AKOS032948364
    • CCG-208397
    • EBC-457069
    • MI65769
    • NCGC00163578-01
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
    • AC-34970
    • AS-56231
    • DA-54468
    • 6-C-.BETA.-D-GLUCOPYRANOSYLAPIGENIN
    • CS-0009796
    • Isovitexin 100 microg/mL in Acetonitrile:Methanol
    • Isovitexin, primary pharmaceutical reference standard
    • Q3155636
    • Flavone, 6-.beta.-D-glucopyranosyl-4',5,7-trihydroxy-
    • 4H-1-Benzopyran-4-one, 6-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)- (VAN)
    • (1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol
    • 38953-85-4

  • Applications

    Isovitexin (CAS 38953-85-4) is a flavone glycoside found in numerous plant extracts and is commonly considered a natural antioxidant. In cosmetics and personal care, it is studied as an active antioxidant component with potential to protect the skin and stabilize botanical-based formulations. In the food processing and nutraceutical sector, isovitexin is evaluated as a plant-derived ingredient with potential for dietary supplements or functional extracts. In pharmaceutical research and development, it is explored as a potential bioactive flavonoid and serves as a reference compound in analytical work. In analytical laboratories, isovitexin is often used as a reference standard for LC-MS/HPLC methods to identify and quantify flavonoids in extracts. It is also regarded as a potential intermediate in the synthesis of more complex flavonoids for natural product chemistry research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.25
    methanol 1.61
    isopropanol 0.1
    water 0.03
    ethyl acetate 0.01
    n-propanol 0.3
    acetone 0.15
    n-butanol 0.09
    acetonitrile 0.02
    DMF 7.89
    toluene 0.01
    isobutanol 0.07
    1,4-dioxane 0.34
    methyl acetate 0.04
    THF 0.68
    2-butanone 0.15
    n-pentanol 0.06
    sec-butanol 0.11
    n-hexane 0.0
    ethylene glycol 6.27
    NMP 8.59
    cyclohexane 0.0
    DMSO 24.82
    n-butyl acetate 0.01
    n-octanol 0.06
    chloroform 0.0
    n-propyl acetate 0.02
    acetic acid 1.09
    dichloromethane 0.0
    cyclohexanone 0.21
    propylene glycol 5.74
    isopropyl acetate 0.01
    DMAc 6.82
    2-ethoxyethanol 2.65
    isopentanol 0.05
    n-heptane 0.0
    ethyl formate 0.04
    1,2-dichloroethane 0.0
    n-hexanol 0.04
    2-methoxyethanol 13.09
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.03
    transcutol 4.76
    n-heptanol 0.09
    ethylbenzene 0.0
    MIBK 0.03
    2-propoxyethanol 1.61
    tert-butanol 0.06
    MTBE 0.02
    2-butoxyethanol 1.36
    propionic acid 0.3
    o-xylene 0.01
    formic acid 7.32
    diethyl ether 0.02
    m-xylene 0.01
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.1
    n-octane 0.0
    formamide 6.25
    cyclopentanone 0.5
    2-pentanone 0.06
    anisole 0.01
    cyclopentyl methyl ether 0.07
    gamma-butyrolactone 0.52
    1-methoxy-2-propanol 4.59
    pyridine 0.11
    3-pentanone 0.05
    furfural 0.68
    n-dodecane 0.0
    diethylene glycol 5.51
    diisopropyl ether 0.0
    tert-amyl alcohol 0.07
    acetylacetone 0.11
    n-hexadecane 0.0
    acetophenone 0.03
    methyl propionate 0.07
    isopentyl acetate 0.02
    trichloroethylene 0.0
    n-nonanol 0.07
    cyclohexanol 0.07
    benzyl alcohol 0.06
    2-ethylhexanol 0.02
    isooctanol 0.05
    dipropyl ether 0.04
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.18
    propylene carbonate 0.07
    n-methylformamide 2.29
    2-pentanol 0.03
    n-pentane 0.0
    1-propoxy-2-propanol 0.71
    1-methoxy-2-propyl acetate 0.14
    2-(2-methoxypropoxy) propanol 1.3
    mesitylene 0.0
    ε-caprolactone 0.19
    p-cymene 0.0
    epichlorohydrin 0.19
    1,1,1-trichloroethane 0.0
    2-aminoethanol 5.82
    morpholine-4-carbaldehyde 7.44
    sulfolane 4.27
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.1
    n-hexyl acetate 0.05
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.17
    sec-butyl acetate 0.01
    tert-butyl acetate 0.02
    decalin 0.0
    glycerin 27.4
    diglyme 3.44
    acrylic acid 0.64
    isopropyl myristate 0.02
    n-butyric acid 0.11
    acetyl acetate 0.01
    di(2-ethylhexyl) phthalate 0.06
    ethyl propionate 0.02
    nitromethane 1.03
    1,2-diethoxyethane 0.1
    benzonitrile 0.01
    trioctyl phosphate 0.05
    1-bromopropane 0.0
    gamma-valerolactone 3.47
    n-decanol 0.04
    triethyl phosphate 0.03
    4-methyl-2-pentanol 0.02
    propionitrile 0.02
    vinylene carbonate 0.06
    1,1,2-trichlorotrifluoroethane 1.65
    DMS 0.05
    cumene 0.0
    2-octanol 0.03
    2-hexanone 0.03
    octyl acetate 0.03
    limonene 0.01
    1,2-dimethoxyethane 1.27
    ethyl orthosilicate 0.03
    tributyl phosphate 0.03
    diacetone alcohol 0.36
    N,N-dimethylaniline 0.02
    acrylonitrile 0.06
    aniline 0.03
    1,3-propanediol 2.66
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.01
    2-methyl-cyclohexyl acetate 0.02
    tetrabutyl urea 0.11
    diisobutyl methanol 0.01
    2-phenylethanol 0.04
    styrene 0.0
    dioctyl adipate 0.06
    dimethyl sulfate 0.47
    ethyl butyrate 0.02
    methyl lactate 1.02
    butyl lactate 0.22
    diethyl carbonate 0.01
    propanediol butyl ether 2.07
    triethyl orthoformate 0.04
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.2
    morpholine 1.01
    tert-butylamine 0.01
    n-dodecanol 0.02
    dimethoxymethane 1.29
    ethylene carbonate 0.04
    cyrene 1.96
    2-ethoxyethyl acetate 0.1
    2-ethylhexyl acetate 0.01
    1,2,4-trichlorobenzene 0.0
    4-methylpyridine 0.04
    dibutyl ether 0.03
    2,6-dimethyl-4-heptanol 0.01
    DEF 0.23
    dimethyl isosorbide 1.28
    tetrachloroethylene 0.01
    eugenol 0.36
    triacetin 0.17
    span 80 0.96
    1,4-butanediol 0.66
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.03
    methyl formate 0.8
    2-methyl-1-butanol 0.06
    n-decane 0.0
    butyronitrile 0.01
    3,7-dimethyl-1-octanol 0.03
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.16
    tetrahydropyran 0.09
    tert-amyl methyl ether 0.03
    2,5,8-trioxanonane 2.63
    1-hexene 0.0
    2-isopropoxyethanol 0.52
    2,2,2-trifluoroethanol 0.34
    methyl butyrate 0.03

    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