Vitexin 2''-O-rhamnoside

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  • Identifiers

    CAS number
    64820-99-1

    Molecular formula
    C27H30O14

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 76.55%
    Vanilla 29.71%
    Phenolic 27.57%
    Sweet 26.63%
    Savory 21.16%
    Bitter 20.69%
    Milky 20.6%
    Burnt 19.66%
    Smoky 19.27%
    Creamy 18.19%

     

    Flavor
    Bitter 76.09%
    Odorless 35.02%
    Bland 30.1%
    Sweet-like 27.41%
    Cedarleaf 20.31%
    Very slight 19.32%
    Very mild 19.11%
    Eugenol 19.1%
    Parsley 19.09%
    Lovage 18.98%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    6.34 (neutral)

    Molecular weight
    578.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5530°C

    Flash point

    • 306.07 ˚C est.

  • Synonyms

    • 64820-99-1
    • Vitexin 2''-O-rhamnoside
    • UD7Y63I5X5
    • 2''-O-RHAMNOPYRANOSYLVITEXIN
    • 8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • 8-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • RefChem:53004
    • 8-((2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • Vitexin-2-O-rhamnoside
    • 2-O-Rhamnosylvitexin
    • Vitexin 2''-rhamnoside
    • Vitexin-2''-rhamnoside
    • 2''-O-Rhamnosylvitexin
    • Vitexin-2''-O-rhamnoside
    • 8-((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
    • vitexin 2''-O-alpha-L-rhamnoside
    • Apigenin-8-C-glucoside-2'-rhamnoside
    • Rhamnosylvitexin
    • 8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • (1S)-1,5-anhydro-2-O-(6-deoxy-alpha-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol
    • (1S)-1,5-anhydro-2-O-(alpha-L-rhamnopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol
    • Vitexin-2'-O-rhamnoside
    • 2''-Rhamnosylvitexin
    • UNII-UD7Y63I5X5
    • Apigenin 8-C-neohesperidoside
    • MFCD29913069
    • vitexin-2 inverted exclamation marka-o-rhamnoside
    • vitexin-2_-O-rhamnoside
    • Vitexin 2"-O-rhamnoside
    • Vitexin-2"-O-rhamnoside CRS
    • MEGxp0_001018
    • orb1303926
    • SCHEMBL1954688
    • CHEMBL1685070
    • ACon1_001257
    • CHEBI:32298
    • HY-N0534R
    • DTXSID20215119
    • LYGPBZVKGHHTIE-HUBYJIGHSA-N
    • GLXC-13461
    • vitexin-2''-O-alpha-L-rhamnoside
    • HY-N0534
    • MSK158887
    • s5460
    • Vitexin-2"-O-rhamnoside (Standard)
    • AKOS015897136
    • CCG-270120
    • EBC-617300
    • OV08033
    • NCGC00169526-01
    • 8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
    • AS-57695
    • Vitexin 2-O-rhamnoside, analytical standard
    • CS-0009067
    • vitexin-2invertedexclamationmarka-o-rhamnoside
    • BRD-K00786504-001-01-8
    • Q27114859
    • Vitexin 2-O-rhamnoside, primary pharmaceutical reference standard
    • (1S)-1,5-Anhydro-2-O-(6-deoxy-alpha-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-D-glucitol
    • 8-[2-O-(6-Deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
    • 64820-99-1

  • Applications

    Vitexin 2''-O-rhamnoside (CAS 64820-99-1) is applied primarily in research and various industries related to plant-derived compounds, with main uses including: as a natural antioxidant in cosmetics and personal care; as a natural colorant for coatings, inks, and surface finishes; as a reference standard for quantifying flavonoid glycosides in plant extracts by HPLC; used as a research component to assess stability, analytics, and quality of botanical extracts; and serving as a reference compound for phytochemical analyses and formulation development related to plant materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.71
    methanol 15.04
    isopropanol 0.48
    water 0.12
    ethyl acetate 0.07
    n-propanol 1.45
    acetone 0.56
    n-butanol 0.5
    acetonitrile 0.1
    DMF 19.53
    toluene 0.02
    isobutanol 0.3
    1,4-dioxane 2.07
    methyl acetate 0.25
    THF 2.87
    2-butanone 0.52
    n-pentanol 0.25
    sec-butanol 0.41
    n-hexane 0.0
    ethylene glycol 14.0
    NMP 18.24
    cyclohexane 0.0
    DMSO 28.33
    n-butyl acetate 0.05
    n-octanol 0.17
    chloroform 0.03
    n-propyl acetate 0.06
    acetic acid 7.22
    dichloromethane 0.06
    cyclohexanone 0.7
    propylene glycol 15.96
    isopropyl acetate 0.04
    DMAc 14.05
    2-ethoxyethanol 6.42
    isopentanol 0.16
    n-heptane 0.01
    ethyl formate 0.31
    1,2-dichloroethane 0.06
    n-hexanol 0.11
    2-methoxyethanol 27.51
    isobutyl acetate 0.03
    tetrachloromethane 0.01
    n-pentyl acetate 0.14
    transcutol 8.77
    n-heptanol 0.22
    ethylbenzene 0.01
    MIBK 0.06
    2-propoxyethanol 2.97
    tert-butanol 0.16
    MTBE 0.05
    2-butoxyethanol 2.58
    propionic acid 1.45
    o-xylene 0.02
    formic acid 27.93
    diethyl ether 0.11
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.46
    n-octane 0.0
    formamide 17.54
    cyclopentanone 1.56
    2-pentanone 0.19
    anisole 0.05
    cyclopentyl methyl ether 0.21
    gamma-butyrolactone 2.16
    1-methoxy-2-propanol 9.2
    pyridine 0.6
    3-pentanone 0.14
    furfural 2.56
    n-dodecane 0.0
    diethylene glycol 8.2
    diisopropyl ether 0.01
    tert-amyl alcohol 0.19
    acetylacetone 0.34
    n-hexadecane 0.0
    acetophenone 0.1
    methyl propionate 0.29
    isopentyl acetate 0.04
    trichloroethylene 0.11
    n-nonanol 0.18
    cyclohexanol 0.2
    benzyl alcohol 0.21
    2-ethylhexanol 0.04
    isooctanol 0.11
    dipropyl ether 0.08
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.43
    propylene carbonate 0.37
    n-methylformamide 8.22
    2-pentanol 0.11
    n-pentane 0.0
    1-propoxy-2-propanol 1.3
    1-methoxy-2-propyl acetate 0.34
    2-(2-methoxypropoxy) propanol 1.9
    mesitylene 0.01
    ε-caprolactone 0.77
    p-cymene 0.01
    epichlorohydrin 1.42
    1,1,1-trichloroethane 0.01
    2-aminoethanol 13.07
    morpholine-4-carbaldehyde 18.9
    sulfolane 8.42
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.44
    n-hexyl acetate 0.17
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.33
    sec-butyl acetate 0.03
    tert-butyl acetate 0.05
    decalin 0.0
    glycerin 45.07
    diglyme 5.4
    acrylic acid 2.98
    isopropyl myristate 0.04
    n-butyric acid 0.62
    acetyl acetate 0.06
    di(2-ethylhexyl) phthalate 0.14
    ethyl propionate 0.06
    nitromethane 5.07
    1,2-diethoxyethane 0.34
    benzonitrile 0.05
    trioctyl phosphate 0.11
    1-bromopropane 0.02
    gamma-valerolactone 10.29
    n-decanol 0.11
    triethyl phosphate 0.06
    4-methyl-2-pentanol 0.04
    propionitrile 0.1
    vinylene carbonate 0.42
    1,1,2-trichlorotrifluoroethane 6.64
    DMS 0.19
    cumene 0.0
    2-octanol 0.09
    2-hexanone 0.11
    octyl acetate 0.11
    limonene 0.01
    1,2-dimethoxyethane 2.91
    ethyl orthosilicate 0.05
    tributyl phosphate 0.08
    diacetone alcohol 0.62
    N,N-dimethylaniline 0.05
    acrylonitrile 0.26
    aniline 0.13
    1,3-propanediol 8.78
    bromobenzene 0.0
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.11
    2-methyl-cyclohexyl acetate 0.05
    tetrabutyl urea 0.22
    diisobutyl methanol 0.02
    2-phenylethanol 0.11
    styrene 0.01
    dioctyl adipate 0.15
    dimethyl sulfate 1.48
    ethyl butyrate 0.06
    methyl lactate 2.71
    butyl lactate 0.6
    diethyl carbonate 0.04
    propanediol butyl ether 4.29
    triethyl orthoformate 0.1
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.35
    morpholine 4.79
    tert-butylamine 0.03
    n-dodecanol 0.06
    dimethoxymethane 4.24
    ethylene carbonate 0.25
    cyrene 3.25
    2-ethoxyethyl acetate 0.47
    2-ethylhexyl acetate 0.03
    1,2,4-trichlorobenzene 0.02
    4-methylpyridine 0.17
    dibutyl ether 0.06
    2,6-dimethyl-4-heptanol 0.02
    DEF 0.75
    dimethyl isosorbide 1.69
    tetrachloroethylene 0.09
    eugenol 0.63
    triacetin 0.51
    span 80 2.0
    1,4-butanediol 2.18
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.1
    methyl formate 4.41
    2-methyl-1-butanol 0.23
    n-decane 0.0
    butyronitrile 0.06
    3,7-dimethyl-1-octanol 0.06
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.55
    tetrahydropyran 0.4
    tert-amyl methyl ether 0.07
    2,5,8-trioxanonane 3.69
    1-hexene 0.01
    2-isopropoxyethanol 1.32
    2,2,2-trifluoroethanol 2.04
    methyl butyrate 0.11

    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