Tricetinidin chloride

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  • Identifiers

    CAS number
    65618-21-5

    Molecular formula
    C15H11ClO6

    SMILES
    C1=CC(=[O+]C2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.51%
    Phenolic 62.16%
    Burnt 37.97%
    Smoky 29.01%
    Medicinal 25.68%
    Spicy 20.02%
    Savory 19.57%
    Meaty 18.7%
    Animal 16.94%
    Balsamic 15.39%

     

    Flavor
    Bitter 93.01%
    Odorless 26.58%
    Sweet-like 22.44%
    Bland 21.52%
    Mild 21.1%
    Very strong 20.92%
    Indole 20.67%
    Cedarleaf 20.53%
    Rotten 20.39%
    Eugenol 20.26%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    11.45 (strong base)

    Molecular weight
    322.69 g/mol

    Flash point

    • 239.71 ˚C est.

  • Synonyms

    • Tricetinidin chloride
    • 65618-21-5
    • US6S794JZM
    • UNII-US6S794JZM
    • 1-Benzopyrylium, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride
    • 1-Benzopyrylium, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (1:1)
    • 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium chloride
    • 5-(5,7-dihydroxychromenylium-2-yl)benzene-1,2,3-triol;chloride
    • orb1992174
    • SCHEMBL6131747
    • AKOS040734577
    • Q3073308
    • 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-1-ium chloride
    • 65618-21-5

  • Applications

    Tricetinidin chloride (CAS 65618-21-5) is typically employed as an organic-synthesis intermediate, providing a flavonoid-like building block for the preparation of related compounds and polymers. It is commonly evaluated for use in coatings and inks as a functional monomer or crosslinking component in specialty formulations. In materials chemistry and formulation, the chloride salt can serve as a metal-chelating agent or stabilizer, helping to control reactivity and shelf life. The compound is also studied as a synthetic precursor in pharmaceutical research to access flavonoid- or polyphenol-derived structures, subject to regulatory constraints. Finally, it may be examined in research settings for potential antioxidant- or UV-absorbing properties in advanced materials, depending on formulation and testing data.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.0
    methanol 0.02
    isopropanol 0.01
    water 0.0
    ethyl acetate 0.01
    n-propanol 0.01
    acetone 0.0
    n-butanol 0.03
    acetonitrile 0.0
    DMF 0.1
    toluene 0.0
    isobutanol 0.01
    1,4-dioxane 0.01
    methyl acetate 0.0
    THF 0.07
    2-butanone 0.0
    n-pentanol 0.01
    sec-butanol 0.07
    n-hexane 0.0
    ethylene glycol 0.24
    NMP 0.86
    cyclohexane 0.0
    DMSO 0.47
    n-butyl acetate 0.04
    n-octanol 0.06
    chloroform 0.0
    n-propyl acetate 0.01
    acetic acid 0.02
    dichloromethane 0.0
    cyclohexanone 0.01
    propylene glycol 0.46
    isopropyl acetate 0.02
    DMAc 1.43
    2-ethoxyethanol 1.33
    isopentanol 0.06
    n-heptane 0.0
    ethyl formate 0.0
    1,2-dichloroethane 0.0
    n-hexanol 0.04
    2-methoxyethanol 3.4
    isobutyl acetate 0.0
    tetrachloromethane 0.0
    n-pentyl acetate 0.05
    transcutol 6.34
    n-heptanol 0.11
    ethylbenzene 0.0
    MIBK 0.01
    2-propoxyethanol 2.58
    tert-butanol 0.06
    MTBE 0.02
    2-butoxyethanol 1.67
    propionic acid 0.06
    o-xylene 0.0
    formic acid 0.21
    diethyl ether 0.0
    m-xylene 0.0
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.04
    n-octane 0.0
    formamide 0.24
    cyclopentanone 0.01
    2-pentanone 0.0
    anisole 0.01
    cyclopentyl methyl ether 0.03
    gamma-butyrolactone 0.08
    1-methoxy-2-propanol 4.76
    pyridine 0.0
    3-pentanone 0.0
    furfural 0.16
    n-dodecane 0.0
    diethylene glycol 3.73
    diisopropyl ether 0.0
    tert-amyl alcohol 0.29
    acetylacetone 0.01
    n-hexadecane 0.0
    acetophenone 0.02
    methyl propionate 0.03
    isopentyl acetate 0.09
    trichloroethylene 0.0
    n-nonanol 0.1
    cyclohexanol 0.03
    benzyl alcohol 0.02
    2-ethylhexanol 0.06
    isooctanol 0.12
    dipropyl ether 0.05
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.3
    propylene carbonate 0.05
    n-methylformamide 0.03
    2-pentanol 0.04
    n-pentane 0.0
    1-propoxy-2-propanol 2.59
    1-methoxy-2-propyl acetate 0.75
    2-(2-methoxypropoxy) propanol 3.06
    mesitylene 0.0
    ε-caprolactone 0.08
    p-cymene 0.01
    epichlorohydrin 0.01
    1,1,1-trichloroethane 0.0
    2-aminoethanol 0.45
    morpholine-4-carbaldehyde 1.46
    sulfolane 1.02
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.03
    n-hexyl acetate 0.08
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.45
    sec-butyl acetate 0.02
    tert-butyl acetate 0.1
    decalin 0.0
    glycerin 4.96
    diglyme 4.58
    acrylic acid 0.08
    isopropyl myristate 0.07
    n-butyric acid 0.09
    acetyl acetate 0.01
    di(2-ethylhexyl) phthalate 0.13
    ethyl propionate 0.03
    nitromethane 0.01
    1,2-diethoxyethane 0.17
    benzonitrile 0.0
    trioctyl phosphate 0.11
    1-bromopropane 0.0
    gamma-valerolactone 0.36
    n-decanol 0.07
    triethyl phosphate 0.17
    4-methyl-2-pentanol 0.05
    propionitrile 0.0
    vinylene carbonate 0.02
    1,1,2-trichlorotrifluoroethane 0.34
    DMS 0.08
    cumene 0.0
    2-octanol 0.07
    2-hexanone 0.0
    octyl acetate 0.08
    limonene 0.01
    1,2-dimethoxyethane 0.59
    ethyl orthosilicate 0.18
    tributyl phosphate 0.11
    diacetone alcohol 1.13
    N,N-dimethylaniline 0.03
    acrylonitrile 0.0
    aniline 0.01
    1,3-propanediol 0.97
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.0
    2-methyl-cyclohexyl acetate 0.09
    tetrabutyl urea 0.23
    diisobutyl methanol 0.08
    2-phenylethanol 0.06
    styrene 0.0
    dioctyl adipate 0.14
    dimethyl sulfate 0.22
    ethyl butyrate 0.09
    methyl lactate 0.97
    butyl lactate 0.46
    diethyl carbonate 0.06
    propanediol butyl ether 1.45
    triethyl orthoformate 0.26
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.6
    morpholine 0.08
    tert-butylamine 0.01
    n-dodecanol 0.05
    dimethoxymethane 0.12
    ethylene carbonate 0.01
    cyrene 1.62
    2-ethoxyethyl acetate 0.18
    2-ethylhexyl acetate 0.05
    1,2,4-trichlorobenzene 0.0
    4-methylpyridine 0.0
    dibutyl ether 0.03
    2,6-dimethyl-4-heptanol 0.08
    DEF 0.09
    dimethyl isosorbide 3.39
    tetrachloroethylene 0.0
    eugenol 0.78
    triacetin 0.31
    span 80 1.33
    1,4-butanediol 0.13
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.04
    methyl formate 0.01
    2-methyl-1-butanol 0.09
    n-decane 0.0
    butyronitrile 0.0
    3,7-dimethyl-1-octanol 0.1
    1-chlorooctane 0.0
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.03
    tetrahydropyran 0.0
    tert-amyl methyl ether 0.1
    2,5,8-trioxanonane 4.03
    1-hexene 0.0
    2-isopropoxyethanol 0.52
    2,2,2-trifluoroethanol 0.03
    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