Diosmetinidin chloride

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  • Identifiers

    CAS number
    64670-94-6

    Molecular formula
    C16H13ClO5

    SMILES
    COC1=C(C=C(C=C1)C2=[O+]C3=CC(=CC(=C3C=C2)O)O)O.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 71.29%
    Smoky 39.25%
    Burnt 38.11%
    Vanilla 37.38%
    Odorless 34.83%
    Spicy 34.42%
    Medicinal 34.01%
    Sweet 31.68%
    Balsamic 26.72%
    Animal 24.41%

     

    Flavor
    Bitter 92.26%
    Sweet-like 21.65%
    Odorless 21.48%
    Eugenol 21.46%
    Very strong 21.22%
    Indole 21.0%
    Parsley 20.87%
    Cedarleaf 20.83%
    Bland 20.78%
    Flat 20.74%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    10.56 (weak base)

    Molecular weight
    320.72 g/mol

    Flash point

    • 210.64 ˚C est.

  • Synonyms

    • Diosmetinidin chloride
    • 64670-94-6
    • DIOSMETINIDIN
    • GL562AJ8JY
    • UNII-GL562AJ8JY
    • 2-(3-hydroxy-4-methoxyphenyl)chromenylium-5,7-diol;chloride
    • 1-Benzopyrylium, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, chloride
    • 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromenylium chloride
    • 3',5,7-Trihydroxy-4'-methoxyflavylium chloride
    • Diosmetinidin (chloride)
    • orb1680141
    • DTXSID30564605
    • AKOS040763602
    • FD65524
    • FS-7427
    • Diosmetinidin chloride ROTICHROM? HPLC
    • DB-219256
    • CS-0797914
    • 5,7,3'-Trihydroxy-4'-methoxy flavylium chloride
    • Q3028807
    • 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromenium chloride
    • 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzopyran-1-ium chloride
    • 64670-94-6

  • Applications

    Diosmetinidin chloride (CAS 64670-94-6) is typically used as an intermediate in organic synthesis and as a research reagent in medicinal chemistry, enabling access to flavonoid-derived compounds. It may serve as a precursor for dye- and pigment-related materials and as a building block for flavonoid-like structures in development work. The chloride salt form can facilitate purification and crystallization in synthetic workflows and may be evaluated for applications in coatings or inks as a chromophore-bearing material. It can also be explored as a starting material in polymer or materials research where aromatic rings are relevant.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.29
    methanol 0.35
    isopropanol 0.39
    water 0.0
    ethyl acetate 0.42
    n-propanol 0.69
    acetone 0.09
    n-butanol 0.75
    acetonitrile 0.07
    DMF 4.95
    toluene 0.03
    isobutanol 0.47
    1,4-dioxane 1.16
    methyl acetate 0.4
    THF 10.05
    2-butanone 0.8
    n-pentanol 0.46
    sec-butanol 1.03
    n-hexane 0.0
    ethylene glycol 0.74
    NMP 5.52
    cyclohexane 0.0
    DMSO 41.68
    n-butyl acetate 0.62
    n-octanol 0.3
    chloroform 0.02
    n-propyl acetate 0.44
    acetic acid 0.87
    dichloromethane 0.02
    cyclohexanone 1.19
    propylene glycol 1.2
    isopropyl acetate 0.48
    DMAc 13.88
    2-ethoxyethanol 6.02
    isopentanol 0.93
    n-heptane 0.01
    ethyl formate 0.25
    1,2-dichloroethane 0.06
    n-hexanol 0.42
    2-methoxyethanol 12.82
    isobutyl acetate 0.3
    tetrachloromethane 0.01
    n-pentyl acetate 0.56
    transcutol 36.12
    n-heptanol 0.45
    ethylbenzene 0.03
    MIBK 0.67
    2-propoxyethanol 7.75
    tert-butanol 0.95
    MTBE 0.63
    2-butoxyethanol 3.63
    propionic acid 0.79
    o-xylene 0.06
    formic acid 1.18
    diethyl ether 0.23
    m-xylene 0.04
    p-xylene 0.04
    chlorobenzene 0.03
    dimethyl carbonate 0.79
    n-octane 0.01
    formamide 2.59
    cyclopentanone 2.54
    2-pentanone 0.52
    anisole 0.43
    cyclopentyl methyl ether 1.15
    gamma-butyrolactone 3.73
    1-methoxy-2-propanol 11.2
    pyridine 0.58
    3-pentanone 0.43
    furfural 3.36
    n-dodecane 0.01
    diethylene glycol 8.23
    diisopropyl ether 0.1
    tert-amyl alcohol 1.71
    acetylacetone 1.12
    n-hexadecane 0.01
    acetophenone 0.64
    methyl propionate 0.82
    isopentyl acetate 1.0
    trichloroethylene 0.16
    n-nonanol 0.41
    cyclohexanol 0.63
    benzyl alcohol 0.55
    2-ethylhexanol 0.45
    isooctanol 0.52
    dipropyl ether 0.75
    1,2-dichlorobenzene 0.06
    ethyl lactate 1.35
    propylene carbonate 0.95
    n-methylformamide 1.35
    2-pentanol 0.61
    n-pentane 0.0
    1-propoxy-2-propanol 6.04
    1-methoxy-2-propyl acetate 3.61
    2-(2-methoxypropoxy) propanol 7.08
    mesitylene 0.04
    ε-caprolactone 1.8
    p-cymene 0.13
    epichlorohydrin 4.74
    1,1,1-trichloroethane 0.03
    2-aminoethanol 1.66
    morpholine-4-carbaldehyde 9.86
    sulfolane 15.22
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.19
    n-hexyl acetate 0.83
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.91
    sec-butyl acetate 0.44
    tert-butyl acetate 1.16
    decalin 0.01
    glycerin 6.88
    diglyme 18.33
    acrylic acid 0.94
    isopropyl myristate 0.5
    n-butyric acid 0.97
    acetyl acetate 0.31
    di(2-ethylhexyl) phthalate 0.76
    ethyl propionate 0.64
    nitromethane 1.9
    1,2-diethoxyethane 3.13
    benzonitrile 0.2
    trioctyl phosphate 0.5
    1-bromopropane 0.04
    gamma-valerolactone 7.62
    n-decanol 0.3
    triethyl phosphate 1.2
    4-methyl-2-pentanol 0.45
    propionitrile 0.21
    vinylene carbonate 0.68
    1,1,2-trichlorotrifluoroethane 6.8
    DMS 1.22
    cumene 0.05
    2-octanol 0.26
    2-hexanone 0.53
    octyl acetate 0.57
    limonene 0.18
    1,2-dimethoxyethane 8.77
    ethyl orthosilicate 1.17
    tributyl phosphate 0.67
    diacetone alcohol 4.56
    N,N-dimethylaniline 0.47
    acrylonitrile 0.39
    aniline 0.29
    1,3-propanediol 3.25
    bromobenzene 0.02
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.25
    2-methyl-cyclohexyl acetate 1.05
    tetrabutyl urea 1.1
    diisobutyl methanol 0.47
    2-phenylethanol 0.74
    styrene 0.03
    dioctyl adipate 1.19
    dimethyl sulfate 3.61
    ethyl butyrate 1.0
    methyl lactate 2.93
    butyl lactate 1.47
    diethyl carbonate 0.73
    propanediol butyl ether 3.01
    triethyl orthoformate 1.71
    p-tert-butyltoluene 0.14
    methyl 4-tert-butylbenzoate 2.36
    morpholine 3.87
    tert-butylamine 0.25
    n-dodecanol 0.22
    dimethoxymethane 4.42
    ethylene carbonate 0.48
    cyrene 5.44
    2-ethoxyethyl acetate 1.89
    2-ethylhexyl acetate 0.68
    1,2,4-trichlorobenzene 0.15
    4-methylpyridine 0.37
    dibutyl ether 0.59
    2,6-dimethyl-4-heptanol 0.47
    DEF 1.87
    dimethyl isosorbide 11.71
    tetrachloroethylene 0.13
    eugenol 2.84
    triacetin 2.27
    span 80 3.2
    1,4-butanediol 0.68
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.73
    methyl formate 0.65
    2-methyl-1-butanol 1.02
    n-decane 0.01
    butyronitrile 0.18
    3,7-dimethyl-1-octanol 0.5
    1-chlorooctane 0.08
    1-chlorotetradecane 0.04
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 0.85
    tetrahydropyran 0.55
    tert-amyl methyl ether 1.04
    2,5,8-trioxanonane 13.34
    1-hexene 0.02
    2-isopropoxyethanol 3.22
    2,2,2-trifluoroethanol 0.46
    methyl butyrate 0.77

    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