Robinetinidin chloride

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3020-09-5

    Molecular formula
    C15H11ClO6

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 62.14%
    Odorless 61.85%
    Burnt 39.15%
    Smoky 29.12%
    Medicinal 25.25%
    Spicy 19.85%
    Savory 19.18%
    Meaty 18.53%
    Balsamic 16.19%
    Animal 16.03%

     

    Flavor
    Bitter 93.19%
    Odorless 25.39%
    Sweet-like 22.26%
    Bland 21.1%
    Very strong 20.84%
    Indole 20.54%
    Eugenol 20.35%
    Cedarleaf 20.33%
    Rotten 20.23%
    Mild 20.23%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    10.99 (weak base)

    Molecular weight
    322.69 g/mol

    Flash point

    • 247.86 ˚C est.

  • Synonyms

    • Robinetinidin chloride
    • 3020-09-5
    • Robinetinidin
    • Robinetinidol chloride
    • ROBINETINIDINCHLORIDE
    • DW6W3V57N8
    • 3,3',4',5',7-Pentahydroxyflavylium chloride
    • UNII-DW6W3V57N8
    • Flavylium, 3,3',4',5',7-pentahydroxy-, chloride
    • 5-(3,7-dihydroxychromenylium-2-yl)benzene-1,2,3-triol;chloride
    • 1-Benzopyrylium, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (1:1)
    • 1-Benzopyrylium, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride 3,3',4',5',7-pentahydroxyflavylium chloride
    • robinetinidin chlo-ride
    • orb1680135
    • SCHEMBL29438367
    • DTXSID80583684
    • AKOS040763608
    • FR65448
    • FS-7422
    • Robinetinidin chloride, analytical standard
    • DB-047724
    • Q7352933
    • 3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-1-ium chloride
    • 3020-09-5

  • Applications

    Robinetinidin chloride (CAS 3020-09-5) is an organic intermediate commonly used as a building block in the synthesis of flavonoid compounds for pharmaceutical, agrochemical, and polymer applications. It can serve as a precursor for colorants and pigments for coatings, inks, and plastics. In cosmetics and personal care, it may be investigated as an antioxidant ingredient and formulation component. It is also utilized as a building block in polymer chemistry and materials development, and may appear in research on stabilizers and additives for formulations. Real-world use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.0
    methanol 0.02
    isopropanol 0.01
    water 0.01
    ethyl acetate 0.0
    n-propanol 0.01
    acetone 0.0
    n-butanol 0.02
    acetonitrile 0.0
    DMF 0.11
    toluene 0.0
    isobutanol 0.01
    1,4-dioxane 0.02
    methyl acetate 0.0
    THF 0.05
    2-butanone 0.0
    n-pentanol 0.01
    sec-butanol 0.05
    n-hexane 0.0
    ethylene glycol 0.33
    NMP 0.84
    cyclohexane 0.0
    DMSO 0.32
    n-butyl acetate 0.03
    n-octanol 0.13
    chloroform 0.0
    n-propyl acetate 0.01
    acetic acid 0.02
    dichloromethane 0.0
    cyclohexanone 0.0
    propylene glycol 0.48
    isopropyl acetate 0.01
    DMAc 1.2
    2-ethoxyethanol 1.13
    isopentanol 0.04
    n-heptane 0.0
    ethyl formate 0.0
    1,2-dichloroethane 0.0
    n-hexanol 0.03
    2-methoxyethanol 2.88
    isobutyl acetate 0.0
    tetrachloromethane 0.0
    n-pentyl acetate 0.07
    transcutol 7.72
    n-heptanol 0.18
    ethylbenzene 0.0
    MIBK 0.01
    2-propoxyethanol 2.26
    tert-butanol 0.05
    MTBE 0.01
    2-butoxyethanol 2.18
    propionic acid 0.05
    o-xylene 0.0
    formic acid 0.28
    diethyl ether 0.0
    m-xylene 0.0
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.03
    n-octane 0.0
    formamide 0.35
    cyclopentanone 0.01
    2-pentanone 0.0
    anisole 0.02
    cyclopentyl methyl ether 0.02
    gamma-butyrolactone 0.06
    1-methoxy-2-propanol 3.73
    pyridine 0.0
    3-pentanone 0.0
    furfural 0.15
    n-dodecane 0.0
    diethylene glycol 3.52
    diisopropyl ether 0.0
    tert-amyl alcohol 0.24
    acetylacetone 0.01
    n-hexadecane 0.0
    acetophenone 0.02
    methyl propionate 0.02
    isopentyl acetate 0.07
    trichloroethylene 0.0
    n-nonanol 0.2
    cyclohexanol 0.03
    benzyl alcohol 0.03
    2-ethylhexanol 0.07
    isooctanol 0.17
    dipropyl ether 0.05
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.27
    propylene carbonate 0.03
    n-methylformamide 0.04
    2-pentanol 0.03
    n-pentane 0.0
    1-propoxy-2-propanol 2.39
    1-methoxy-2-propyl acetate 0.62
    2-(2-methoxypropoxy) propanol 3.43
    mesitylene 0.0
    ε-caprolactone 0.06
    p-cymene 0.01
    epichlorohydrin 0.01
    1,1,1-trichloroethane 0.0
    2-aminoethanol 0.53
    morpholine-4-carbaldehyde 1.58
    sulfolane 0.61
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.02
    n-hexyl acetate 0.12
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.38
    sec-butyl acetate 0.02
    tert-butyl acetate 0.08
    decalin 0.0
    glycerin 5.06
    diglyme 5.24
    acrylic acid 0.08
    isopropyl myristate 0.1
    n-butyric acid 0.05
    acetyl acetate 0.0
    di(2-ethylhexyl) phthalate 0.16
    ethyl propionate 0.02
    nitromethane 0.01
    1,2-diethoxyethane 0.22
    benzonitrile 0.0
    trioctyl phosphate 0.16
    1-bromopropane 0.0
    gamma-valerolactone 0.26
    n-decanol 0.14
    triethyl phosphate 0.15
    4-methyl-2-pentanol 0.04
    propionitrile 0.0
    vinylene carbonate 0.02
    1,1,2-trichlorotrifluoroethane 0.3
    DMS 0.1
    cumene 0.0
    2-octanol 0.11
    2-hexanone 0.0
    octyl acetate 0.12
    limonene 0.01
    1,2-dimethoxyethane 0.51
    ethyl orthosilicate 0.17
    tributyl phosphate 0.12
    diacetone alcohol 0.79
    N,N-dimethylaniline 0.04
    acrylonitrile 0.0
    aniline 0.01
    1,3-propanediol 0.77
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.0
    2-methyl-cyclohexyl acetate 0.08
    tetrabutyl urea 0.29
    diisobutyl methanol 0.09
    2-phenylethanol 0.07
    styrene 0.0
    dioctyl adipate 0.18
    dimethyl sulfate 0.18
    ethyl butyrate 0.07
    methyl lactate 0.82
    butyl lactate 0.57
    diethyl carbonate 0.05
    propanediol butyl ether 2.21
    triethyl orthoformate 0.25
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.76
    morpholine 0.09
    tert-butylamine 0.01
    n-dodecanol 0.08
    dimethoxymethane 0.13
    ethylene carbonate 0.01
    cyrene 1.48
    2-ethoxyethyl acetate 0.25
    2-ethylhexyl acetate 0.05
    1,2,4-trichlorobenzene 0.0
    4-methylpyridine 0.0
    dibutyl ether 0.05
    2,6-dimethyl-4-heptanol 0.09
    DEF 0.06
    dimethyl isosorbide 2.91
    tetrachloroethylene 0.0
    eugenol 1.0
    triacetin 0.37
    span 80 1.76
    1,4-butanediol 0.12
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.04
    methyl formate 0.01
    2-methyl-1-butanol 0.06
    n-decane 0.0
    butyronitrile 0.0
    3,7-dimethyl-1-octanol 0.16
    1-chlorooctane 0.0
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.02
    tetrahydropyran 0.0
    tert-amyl methyl ether 0.09
    2,5,8-trioxanonane 4.49
    1-hexene 0.0
    2-isopropoxyethanol 0.48
    2,2,2-trifluoroethanol 0.03
    methyl butyrate 0.02

    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