Robinetin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    490-31-3

    Molecular formula
    C15H10O7

    SMILES
    C1=CC2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C(=C3)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 65.27%
    Phenolic 54.46%
    Burnt 39.25%
    Smoky 24.39%
    Medicinal 21.83%
    Savory 18.69%
    Spicy 18.21%
    Balsamic 16.76%
    Bitter 15.88%
    Meaty 15.81%

     

    Flavor
    Bitter 93.92%
    Odorless 25.47%
    Sweet-like 21.92%
    Bland 20.74%
    Cedarleaf 20.17%
    Very strong 20.03%
    Eugenol 20.0%
    Rotten 19.85%
    Indole 19.83%
    Nitrile 19.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    9.98 (weak base)

    Molecular weight
    302.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    920°C

    Flash point

    • 256.91 ˚C est.

  • Synonyms

    • Robinetin
    • 490-31-3
    • Norkanugin
    • 5-Hydroxyfisetin
    • 5-Deoxymyricetin
    • 3,3',4',5',7-Pentahydroxyflavone
    • 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-
    • 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
    • KJ6DBC4U7E
    • NSC-407331
    • FLAVONE, 3,3',4',5',7-PENTAHYDROXY-
    • DTXSID30197654
    • 3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-benzopyrone
    • NSC-656274
    • CHEBI:8876
    • 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
    • RefChem:179722
    • DTXCID90120145
    • 207-709-6
    • 3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
    • MFCD00016783
    • NSC 407331
    • NSC 656274
    • 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)
    • 3,7,3',4',5'-pentahydroxyflavone
    • CHEMBL170405
    • NSC656274
    • CCRIS 7520
    • EINECS 207-709-6
    • UNII-KJ6DBC4U7E
    • BRN 0308905
    • 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one
    • 3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-1-one; 3,3',4',5',7-Pentahydroxyflavone; Norkanugin
    • 3,7,3',4',5'-Pentahydroxuflavone
    • Robinetin (Standard)
    • 5-18-05-00562 (Beilstein Handbook Reference)
    • SCHEMBL217743
    • orb1297217
    • SCHEMBL29883566
    • HY-N1347R
    • 3,7-Dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chromen-4-one
    • HY-N1347
    • BDBM50033767
    • LMPK12111577
    • NSC407331
    • AKOS016009494
    • Flavone,3',4',5',7-pentahydroxy-
    • CCG-208323
    • EBC-470097
    • FR36383
    • NCGC00163615-01
    • AS-81054
    • DA-70217
    • 3,7,3'',4'',5''-Pentahydroxyflavone
    • 3,3'',4'',5'',7-pentahydroxy flavone
    • CS-0016755
    • NS00015845
    • E87017
    • WLN: T66 BO EVJ CR CQ DQ EQ& DQ IQ
    • SR-05000002311
    • SR-05000002311-2
    • Q27108166
    • 490-31-3

  • Applications

    Robinetin is primarily used as an intermediate in the synthesis of more complex flavonoids and polyphenolic compounds. It is commonly evaluated as a natural antioxidant and stabilizer in cosmetics and personal care formulations. It can be incorporated as an antioxidant/UV-stabilizing additive in polymer and coating formulations, including plastics and paints. In pharmaceutical research, robinetin and its derivatives are explored as precursors for developing flavonoid-derived actives. Additional niche uses include roles as a specialty intermediate in chemical syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.09
    methanol 1.72
    isopropanol 1.5
    water 0.01
    ethyl acetate 0.68
    n-propanol 2.73
    acetone 0.01
    n-butanol 2.52
    acetonitrile 0.02
    DMF 8.62
    toluene 0.02
    isobutanol 1.01
    1,4-dioxane 1.21
    methyl acetate 0.37
    THF 5.51
    2-butanone 0.51
    n-pentanol 0.72
    sec-butanol 4.58
    n-hexane 0.0
    ethylene glycol 4.69
    NMP 10.49
    cyclohexane 0.0
    DMSO 14.91
    n-butyl acetate 0.59
    n-octanol 2.1
    chloroform 0.0
    n-propyl acetate 0.35
    acetic acid 0.58
    dichloromethane 0.0
    cyclohexanone 0.5
    propylene glycol 6.04
    isopropyl acetate 0.68
    DMAc 21.77
    2-ethoxyethanol 16.47
    isopentanol 1.96
    n-heptane 0.01
    ethyl formate 0.23
    1,2-dichloroethane 0.0
    n-hexanol 0.89
    2-methoxyethanol 50.87
    isobutyl acetate 0.07
    tetrachloromethane 0.0
    n-pentyl acetate 1.09
    transcutol 26.38
    n-heptanol 2.0
    ethylbenzene 0.02
    MIBK 0.41
    2-propoxyethanol 16.56
    tert-butanol 2.69
    MTBE 0.93
    2-butoxyethanol 9.73
    propionic acid 1.39
    o-xylene 0.05
    formic acid 2.54
    diethyl ether 0.3
    m-xylene 0.03
    p-xylene 0.01
    chlorobenzene 0.0
    dimethyl carbonate 0.83
    n-octane 0.01
    formamide 5.29
    cyclopentanone 1.01
    2-pentanone 0.38
    anisole 0.28
    cyclopentyl methyl ether 1.3
    gamma-butyrolactone 2.48
    1-methoxy-2-propanol 45.72
    pyridine 0.31
    3-pentanone 0.28
    furfural 1.87
    n-dodecane 0.01
    diethylene glycol 18.73
    diisopropyl ether 0.1
    tert-amyl alcohol 6.2
    acetylacetone 0.56
    n-hexadecane 0.01
    acetophenone 0.34
    methyl propionate 1.66
    isopentyl acetate 0.61
    trichloroethylene 0.0
    n-nonanol 2.4
    cyclohexanol 1.2
    benzyl alcohol 0.5
    2-ethylhexanol 0.61
    isooctanol 1.39
    dipropyl ether 0.84
    1,2-dichlorobenzene 0.0
    ethyl lactate 1.92
    propylene carbonate 0.51
    n-methylformamide 3.45
    2-pentanol 2.24
    n-pentane 0.0
    1-propoxy-2-propanol 12.8
    1-methoxy-2-propyl acetate 4.06
    2-(2-methoxypropoxy) propanol 9.32
    mesitylene 0.02
    ε-caprolactone 2.16
    p-cymene 0.08
    epichlorohydrin 1.02
    1,1,1-trichloroethane 0.0
    2-aminoethanol 9.2
    morpholine-4-carbaldehyde 14.93
    sulfolane 8.09
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.31
    n-hexyl acetate 1.78
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 15.23
    sec-butyl acetate 0.34
    tert-butyl acetate 1.35
    decalin 0.0
    glycerin 25.15
    diglyme 18.35
    acrylic acid 1.22
    isopropyl myristate 0.73
    n-butyric acid 1.79
    acetyl acetate 0.12
    di(2-ethylhexyl) phthalate 0.63
    ethyl propionate 0.65
    nitromethane 0.8
    1,2-diethoxyethane 2.99
    benzonitrile 0.06
    trioctyl phosphate 0.73
    1-bromopropane 0.0
    gamma-valerolactone 7.81
    n-decanol 1.57
    triethyl phosphate 0.58
    4-methyl-2-pentanol 0.9
    propionitrile 0.14
    vinylene carbonate 0.25
    1,1,2-trichlorotrifluoroethane 3.32
    DMS 0.87
    cumene 0.02
    2-octanol 1.58
    2-hexanone 0.26
    octyl acetate 1.2
    limonene 0.13
    1,2-dimethoxyethane 10.3
    ethyl orthosilicate 0.6
    tributyl phosphate 0.6
    diacetone alcohol 9.11
    N,N-dimethylaniline 0.34
    acrylonitrile 0.23
    aniline 0.29
    1,3-propanediol 14.51
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.01
    2-methyl-cyclohexyl acetate 0.47
    tetrabutyl urea 1.36
    diisobutyl methanol 0.54
    2-phenylethanol 0.69
    styrene 0.01
    dioctyl adipate 1.09
    dimethyl sulfate 2.11
    ethyl butyrate 0.76
    methyl lactate 7.69
    butyl lactate 2.86
    diethyl carbonate 0.34
    propanediol butyl ether 9.75
    triethyl orthoformate 1.2
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 2.44
    morpholine 7.2
    tert-butylamine 0.5
    n-dodecanol 0.89
    dimethoxymethane 7.46
    ethylene carbonate 0.21
    cyrene 5.31
    2-ethoxyethyl acetate 2.43
    2-ethylhexyl acetate 0.37
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.21
    dibutyl ether 0.94
    2,6-dimethyl-4-heptanol 0.54
    DEF 4.01
    dimethyl isosorbide 8.19
    tetrachloroethylene 0.0
    eugenol 3.07
    triacetin 1.86
    span 80 5.99
    1,4-butanediol 2.26
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.84
    methyl formate 0.74
    2-methyl-1-butanol 2.61
    n-decane 0.03
    butyronitrile 0.11
    3,7-dimethyl-1-octanol 1.28
    1-chlorooctane 0.11
    1-chlorotetradecane 0.04
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 1.53
    tetrahydropyran 0.5
    tert-amyl methyl ether 2.3
    2,5,8-trioxanonane 13.47
    1-hexene 0.01
    2-isopropoxyethanol 5.91
    2,2,2-trifluoroethanol 0.34
    methyl butyrate 0.73

    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