Flavylium

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  • Identifiers

    CAS number
    14051-53-7

    Molecular formula
    C15H11O+

    SMILES
    C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2

  • Odor profile

    Fragrance
    Pungent 44.72%
    Animal 44.58%
    Floral 42.21%
    Geranium 38.01%
    Earthy 37.0%
    Metallic 36.27%
    Phenolic 35.16%
    Burnt 34.94%
    Musty 32.53%
    Medicinal 31.8%

     

    Flavor
    Bitter 38.33%
    Geranium 37.1%
    Animal 34.71%
    Fecal 34.19%
    Rose 31.91%
    Balsam 31.39%
    Green 29.58%
    Moth ball 28.94%
    Naphthelene 28.68%
    Sweet 28.49%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.71 (neutral)

    Molecular weight
    207.25 g/mol

    Flash point

    • 137.46 ˚C est.

  • Synonyms

    • Flavylium
    • Enocyanin
    • 2-phenylchromenylium
    • 14051-53-7
    • Anthocyanins
    • Anthocyanidin
    • Anthocyanidins
    • Enocianina
    • Oenocyanin
    • 1-Benzopyrylium, 2-phenyl-
    • Flavylium ion
    • UNII-F02KPB2508
    • Flavylium cation
    • 2-phenylbenzopyrylium
    • 2-Phenyl-1-benzopyrylium
    • D9PP99SH3U
    • SCHEMBL342020
    • 2-Phenyl-1-benzopyran-1-ium
    • CHEBI:36121
    • DTXSID60864302
    • NWKFECICNXDNOQ-UHFFFAOYSA-N
    • F02KPB2508
    • 2-phenyl-1$l^{4}-chromen-1-ylium
    • FE71956
    • DA-52909
    • C22578
    • Q27116709
    • InChI=1/C15H11O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H/q+

  • Applications

    Flavylium, CAS 14051-53-7, is primarily used as a chromophore and colorant in inks, coatings, and plastics, providing color and optical stability in formulations; it also serves as an intermediate in organic synthesis for flavylium-derived dyes and pigments; flavylium derivatives are studied for electrochromic and smart-material applications, such as electrochromic coatings, and may function as optical sensors in analytical contexts; additionally, they serve as building blocks for functional materials in synthetic and electrochemical chemistry, including polymer and nanostructured systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.19
    methanol 5.29
    isopropanol 4.47
    water 0.02
    ethyl acetate 30.22
    n-propanol 7.39
    acetone 24.77
    n-butanol 8.12
    acetonitrile 11.39
    DMF 59.31
    toluene 26.35
    isobutanol 6.27
    1,4-dioxane 88.82
    methyl acetate 27.65
    THF 161.5
    2-butanone 32.21
    n-pentanol 10.17
    sec-butanol 6.12
    n-hexane 3.9
    ethylene glycol 1.21
    NMP 35.78
    cyclohexane 3.12
    DMSO 39.27
    n-butyl acetate 44.37
    n-octanol 8.08
    chloroform 81.88
    n-propyl acetate 38.15
    acetic acid 17.42
    dichloromethane 127.55
    cyclohexanone 56.15
    propylene glycol 1.49
    isopropyl acetate 24.73
    DMAc 65.65
    2-ethoxyethanol 22.12
    isopentanol 10.64
    n-heptane 4.91
    ethyl formate 20.96
    1,2-dichloroethane 122.98
    n-hexanol 12.69
    2-methoxyethanol 24.18
    isobutyl acetate 34.25
    tetrachloromethane 4.81
    n-pentyl acetate 30.17
    transcutol 271.43
    n-heptanol 9.01
    ethylbenzene 31.35
    MIBK 26.86
    2-propoxyethanol 27.97
    tert-butanol 7.38
    MTBE 17.33
    2-butoxyethanol 23.06
    propionic acid 10.92
    o-xylene 17.78
    formic acid 3.75
    diethyl ether 32.35
    m-xylene 17.66
    p-xylene 29.78
    chlorobenzene 28.39
    dimethyl carbonate 18.69
    n-octane 2.62
    formamide 12.57
    cyclopentanone 76.79
    2-pentanone 25.8
    anisole 59.21
    cyclopentyl methyl ether 36.57
    gamma-butyrolactone 92.86
    1-methoxy-2-propanol 16.88
    pyridine 112.32
    3-pentanone 25.11
    furfural 88.28
    n-dodecane 1.99
    diethylene glycol 14.65
    diisopropyl ether 10.92
    tert-amyl alcohol 9.25
    acetylacetone 47.15
    n-hexadecane 2.35
    acetophenone 51.19
    methyl propionate 23.48
    isopentyl acetate 50.48
    trichloroethylene 198.18
    n-nonanol 9.82
    cyclohexanol 8.09
    benzyl alcohol 23.73
    2-ethylhexanol 15.33
    isooctanol 10.22
    dipropyl ether 40.01
    1,2-dichlorobenzene 37.56
    ethyl lactate 12.35
    propylene carbonate 42.98
    n-methylformamide 17.23
    2-pentanol 5.97
    n-pentane 1.78
    1-propoxy-2-propanol 22.41
    1-methoxy-2-propyl acetate 43.1
    2-(2-methoxypropoxy) propanol 40.35
    mesitylene 12.06
    ε-caprolactone 57.89
    p-cymene 17.59
    epichlorohydrin 168.78
    1,1,1-trichloroethane 32.71
    2-aminoethanol 3.51
    morpholine-4-carbaldehyde 73.6
    sulfolane 70.75
    2,2,4-trimethylpentane 1.97
    2-methyltetrahydrofuran 60.19
    n-hexyl acetate 35.48
    isooctane 1.53
    2-(2-butoxyethoxy)ethanol 52.89
    sec-butyl acetate 30.99
    tert-butyl acetate 31.72
    decalin 5.05
    glycerin 3.94
    diglyme 158.84
    acrylic acid 12.54
    isopropyl myristate 19.94
    n-butyric acid 20.47
    acetyl acetate 24.79
    di(2-ethylhexyl) phthalate 16.81
    ethyl propionate 34.47
    nitromethane 45.62
    1,2-diethoxyethane 92.1
    benzonitrile 32.17
    trioctyl phosphate 9.5
    1-bromopropane 36.92
    gamma-valerolactone 108.23
    n-decanol 8.07
    triethyl phosphate 24.67
    4-methyl-2-pentanol 7.64
    propionitrile 14.75
    vinylene carbonate 47.15
    1,1,2-trichlorotrifluoroethane 45.79
    DMS 40.99
    cumene 22.17
    2-octanol 6.34
    2-hexanone 38.1
    octyl acetate 19.94
    limonene 18.42
    1,2-dimethoxyethane 106.72
    ethyl orthosilicate 25.7
    tributyl phosphate 15.51
    diacetone alcohol 25.63
    N,N-dimethylaniline 40.84
    acrylonitrile 22.91
    aniline 21.05
    1,3-propanediol 7.36
    bromobenzene 32.7
    dibromomethane 67.07
    1,1,2,2-tetrachloroethane 123.68
    2-methyl-cyclohexyl acetate 39.16
    tetrabutyl urea 21.89
    diisobutyl methanol 14.18
    2-phenylethanol 26.43
    styrene 32.39
    dioctyl adipate 31.84
    dimethyl sulfate 25.78
    ethyl butyrate 49.1
    methyl lactate 8.68
    butyl lactate 19.03
    diethyl carbonate 34.07
    propanediol butyl ether 14.72
    triethyl orthoformate 37.35
    p-tert-butyltoluene 15.67
    methyl 4-tert-butylbenzoate 40.83
    morpholine 70.82
    tert-butylamine 5.72
    n-dodecanol 7.06
    dimethoxymethane 56.55
    ethylene carbonate 34.47
    cyrene 28.07
    2-ethoxyethyl acetate 52.38
    2-ethylhexyl acetate 41.84
    1,2,4-trichlorobenzene 44.77
    4-methylpyridine 63.59
    dibutyl ether 40.38
    2,6-dimethyl-4-heptanol 14.18
    DEF 42.24
    dimethyl isosorbide 89.59
    tetrachloroethylene 74.11
    eugenol 39.43
    triacetin 45.24
    span 80 25.99
    1,4-butanediol 3.35
    1,1-dichloroethane 32.38
    2-methyl-1-pentanol 15.43
    methyl formate 17.85
    2-methyl-1-butanol 9.22
    n-decane 3.25
    butyronitrile 15.62
    3,7-dimethyl-1-octanol 12.72
    1-chlorooctane 13.18
    1-chlorotetradecane 6.4
    n-nonane 2.73
    undecane 2.47
    tert-butylcyclohexane 5.01
    cyclooctane 1.68
    cyclopentanol 9.75
    tetrahydropyran 59.84
    tert-amyl methyl ether 18.01
    2,5,8-trioxanonane 89.56
    1-hexene 18.31
    2-isopropoxyethanol 19.29
    2,2,2-trifluoroethanol 6.39
    methyl butyrate 45.94

    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