Fisetinidin

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  • Identifiers

    CAS number
    2948-76-7

    Molecular formula
    C15H11ClO5

    SMILES
    C1=CC(=CC2=[O+]C(=C(C=C21)O)C3=CC(=C(C=C3)O)O)O.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 69.07%
    Odorless 51.84%
    Burnt 43.03%
    Smoky 33.27%
    Medicinal 30.73%
    Spicy 24.52%
    Meaty 21.53%
    Vanilla 21.3%
    Savory 21.27%
    Balsamic 20.02%

     

    Flavor
    Bitter 93.54%
    Odorless 21.76%
    Sweet-like 21.46%
    Very strong 21.32%
    Indole 20.72%
    Flat 20.02%
    Eugenol 19.97%
    Rotten 19.96%
    Cedarleaf 19.85%
    Mild 19.64%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    11.17 (strong base)

    Molecular weight
    306.7 g/mol

    Flash point

    • 235.04 ˚C est.

  • Synonyms

    • Fisetinidin chloride
    • 2948-76-7
    • fisetinidin
    • MF2RUJ9T8H
    • DTXSID50583696
    • RefChem:140499
    • DTXCID50534461
    • Fizetinidol chloride
    • 3,3',4',7-Tetrahydroxyflavylium chloride
    • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-, chloride (1:1)
    • UNII-MF2RUJ9T8H
    • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-, chloride
    • 2-(3,4-dihydroxyphenyl)chromenylium-3,7-diol;chloride
    • Fisetinidin (chloride)
    • orb1682568
    • AKOS040761735
    • FF65537
    • FS-7426
    • Fisetinidin chloride, analytical standard
    • DB-047592
    • CS-0158747
    • Q5454453
    • 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-1-benzopyran-1-ium chloride
    • 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-1-benzopyrylium chloride (1:1); 3,3',4',7-Tetrahydroxyflavylium chloride
    • 2948-76-7

  • Applications

    Fisetinidin is primarily used as a building block for tannin- and polyphenol-based materials and as a pigment precursor. In industrial manufacturing, it is commonly evaluated as a monomer for tannin-based polymers and bio-based resins used in coatings, adhesives, and packaging inks; it also serves as a colorant or dye precursor for natural pigment systems and leather-tanning formulations; in cosmetics and personal care, it is explored as an antioxidant polyphenol additive in formulations; and in sustainable materials development, it supports the synthesis of bio-based polymers derived from tannins. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.05
    methanol 0.13
    isopropanol 0.05
    water 0.01
    ethyl acetate 0.02
    n-propanol 0.1
    acetone 0.0
    n-butanol 0.13
    acetonitrile 0.0
    DMF 0.47
    toluene 0.0
    isobutanol 0.05
    1,4-dioxane 0.09
    methyl acetate 0.02
    THF 0.51
    2-butanone 0.02
    n-pentanol 0.06
    sec-butanol 0.25
    n-hexane 0.0
    ethylene glycol 0.48
    NMP 0.95
    cyclohexane 0.0
    DMSO 1.45
    n-butyl acetate 0.12
    n-octanol 0.27
    chloroform 0.0
    n-propyl acetate 0.04
    acetic acid 0.12
    dichloromethane 0.0
    cyclohexanone 0.03
    propylene glycol 0.58
    isopropyl acetate 0.06
    DMAc 3.55
    2-ethoxyethanol 2.57
    isopentanol 0.23
    n-heptane 0.0
    ethyl formate 0.02
    1,2-dichloroethane 0.0
    n-hexanol 0.13
    2-methoxyethanol 5.63
    isobutyl acetate 0.02
    tetrachloromethane 0.0
    n-pentyl acetate 0.24
    transcutol 12.71
    n-heptanol 0.42
    ethylbenzene 0.0
    MIBK 0.06
    2-propoxyethanol 3.52
    tert-butanol 0.27
    MTBE 0.09
    2-butoxyethanol 3.12
    propionic acid 0.15
    o-xylene 0.01
    formic acid 0.57
    diethyl ether 0.01
    m-xylene 0.01
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.1
    n-octane 0.0
    formamide 1.1
    cyclopentanone 0.08
    2-pentanone 0.01
    anisole 0.07
    cyclopentyl methyl ether 0.08
    gamma-butyrolactone 0.26
    1-methoxy-2-propanol 4.82
    pyridine 0.03
    3-pentanone 0.01
    furfural 0.43
    n-dodecane 0.0
    diethylene glycol 4.4
    diisopropyl ether 0.01
    tert-amyl alcohol 0.81
    acetylacetone 0.06
    n-hexadecane 0.0
    acetophenone 0.1
    methyl propionate 0.06
    isopentyl acetate 0.26
    trichloroethylene 0.0
    n-nonanol 0.39
    cyclohexanol 0.09
    benzyl alcohol 0.11
    2-ethylhexanol 0.18
    isooctanol 0.4
    dipropyl ether 0.13
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.47
    propylene carbonate 0.11
    n-methylformamide 0.17
    2-pentanol 0.13
    n-pentane 0.0
    1-propoxy-2-propanol 3.27
    1-methoxy-2-propyl acetate 1.16
    2-(2-methoxypropoxy) propanol 4.79
    mesitylene 0.01
    ε-caprolactone 0.21
    p-cymene 0.04
    epichlorohydrin 0.08
    1,1,1-trichloroethane 0.0
    2-aminoethanol 0.93
    morpholine-4-carbaldehyde 2.4
    sulfolane 1.21
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.14
    n-hexyl acetate 0.38
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 6.21
    sec-butyl acetate 0.07
    tert-butyl acetate 0.3
    decalin 0.0
    glycerin 3.96
    diglyme 9.04
    acrylic acid 0.18
    isopropyl myristate 0.26
    n-butyric acid 0.19
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.35
    ethyl propionate 0.08
    nitromethane 0.1
    1,2-diethoxyethane 0.81
    benzonitrile 0.01
    trioctyl phosphate 0.3
    1-bromopropane 0.0
    gamma-valerolactone 0.98
    n-decanol 0.28
    triethyl phosphate 0.33
    4-methyl-2-pentanol 0.15
    propionitrile 0.01
    vinylene carbonate 0.06
    1,1,2-trichlorotrifluoroethane 0.69
    DMS 0.24
    cumene 0.01
    2-octanol 0.25
    2-hexanone 0.03
    octyl acetate 0.32
    limonene 0.04
    1,2-dimethoxyethane 2.11
    ethyl orthosilicate 0.38
    tributyl phosphate 0.28
    diacetone alcohol 1.73
    N,N-dimethylaniline 0.13
    acrylonitrile 0.02
    aniline 0.03
    1,3-propanediol 1.68
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.0
    2-methyl-cyclohexyl acetate 0.25
    tetrabutyl urea 0.62
    diisobutyl methanol 0.24
    2-phenylethanol 0.23
    styrene 0.0
    dioctyl adipate 0.46
    dimethyl sulfate 0.4
    ethyl butyrate 0.19
    methyl lactate 1.03
    butyl lactate 0.97
    diethyl carbonate 0.15
    propanediol butyl ether 2.51
    triethyl orthoformate 0.54
    p-tert-butyltoluene 0.06
    methyl 4-tert-butylbenzoate 1.31
    morpholine 0.42
    tert-butylamine 0.06
    n-dodecanol 0.18
    dimethoxymethane 0.47
    ethylene carbonate 0.04
    cyrene 2.04
    2-ethoxyethyl acetate 0.7
    2-ethylhexyl acetate 0.16
    1,2,4-trichlorobenzene 0.0
    4-methylpyridine 0.02
    dibutyl ether 0.18
    2,6-dimethyl-4-heptanol 0.24
    DEF 0.26
    dimethyl isosorbide 4.77
    tetrachloroethylene 0.0
    eugenol 1.68
    triacetin 0.78
    span 80 2.34
    1,4-butanediol 0.29
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.17
    methyl formate 0.05
    2-methyl-1-butanol 0.28
    n-decane 0.0
    butyronitrile 0.01
    3,7-dimethyl-1-octanol 0.39
    1-chlorooctane 0.01
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.09
    tetrahydropyran 0.02
    tert-amyl methyl ether 0.29
    2,5,8-trioxanonane 6.99
    1-hexene 0.0
    2-isopropoxyethanol 1.18
    2,2,2-trifluoroethanol 0.09
    methyl butyrate 0.08

    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