Flavanomarein

Overview IFRA Request a quote

  • Identifiers

    CAS number
    577-38-8

    Molecular formula
    C21H22O11

    SMILES
    C1[C@H](OC2=C(C1=O)C=CC(=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 74.78%
    Vanilla 36.08%
    Phenolic 31.57%
    Burnt 24.74%
    Smoky 22.24%
    Savory 21.66%
    Milky 21.63%
    Sweet 21.17%
    Spicy 20.76%
    Balsamic 19.69%

     

    Flavor
    Bitter 80.91%
    Bland 31.98%
    Odorless 30.95%
    Sweet-like 26.89%
    Very mild 20.47%
    Cedarleaf 19.95%
    Eugenol 19.93%
    Parsley 19.51%
    Lovage 19.21%
    Fenugreek 18.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    8.73 (weak base)

    Molecular weight
    450.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3049°C

    Flash point

    • 278.24 ˚C est.

  • Synonyms

    • Flavanomarein
    • 577-38-8
    • EINECS 209-411-1
    • (2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
    • (2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2,3-dihydrochromen-4-one
    • 2-(3,4-dihydroxyphenyl)-8-hydroxy-7-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2,3-dihydrochromen-4-one
    • 2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
    • RefChem:140597
    • MFCD00136058
    • (S)-2-(3,4-Dihydroxyphenyl)-8-hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one
    • (S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-8-hydroxy-4H-1-benzopyran-4-one
    • Iso-okanin-7-glucoside
    • orb1297374
    • SCHEMBL2490125
    • CHEMBL1405715
    • DTXSID70973292
    • HY-N7675
    • AKOS040760399
    • CCG-208625
    • EBC-617225
    • NCGC00163555-01
    • (2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
    • DA-59661
    • FF137935
    • MS-28161
    • CS-0135180
    • NS00042907
    • D85186
    • SR-05000002161
    • SR-05000002161-2
    • Q63392622
    • 2-(3,4-Dihydroxyphenyl)-8-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl hexopyranoside
    • (2S)-2-(3,4-Dihydroxyphenyl)-8-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl beta-D-glucopyranoside
    • (2S)-2-(3,4-Dihydroxyphenyl)-8-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl ?-D-glucopyranoside
    • 577-38-8

  • Applications

    Flavanomarein (CAS 577-38-8) is a flavonoid with potential applications across several industries: in cosmetics and personal care, it may serve as an antioxidant and stabilizer in formulations; it may function as a natural colorant in skincare and haircare products; in food processing, it may be evaluated as an antioxidant or natural colorant for processed foods, subject to regulatory controls; in polymers and plastics, it is studied as an antioxidant and stabilizer for plastics and rubber; in coatings and inks, it can act as a natural pigment or colorant for coatings and printing inks; and it may serve as an intermediate for the synthesis of flavonoid derivatives in pharmaceutical research, depending on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.15
    methanol 14.35
    isopropanol 5.72
    water 0.94
    ethyl acetate 6.54
    n-propanol 7.52
    acetone 22.93
    n-butanol 4.87
    acetonitrile 6.21
    DMF 87.63
    toluene 0.56
    isobutanol 2.03
    1,4-dioxane 33.05
    methyl acetate 7.47
    THF 60.52
    2-butanone 10.48
    n-pentanol 1.67
    sec-butanol 3.52
    n-hexane 0.02
    ethylene glycol 39.52
    NMP 38.44
    cyclohexane 0.06
    DMSO 288.07
    n-butyl acetate 0.71
    n-octanol 2.6
    chloroform 0.24
    n-propyl acetate 1.18
    acetic acid 59.15
    dichloromethane 0.35
    cyclohexanone 9.55
    propylene glycol 32.61
    isopropyl acetate 3.08
    DMAc 92.79
    2-ethoxyethanol 73.34
    isopentanol 2.08
    n-heptane 0.1
    ethyl formate 6.02
    1,2-dichloroethane 0.67
    n-hexanol 0.81
    2-methoxyethanol 195.75
    isobutyl acetate 0.3
    tetrachloromethane 0.06
    n-pentyl acetate 2.07
    transcutol 65.45
    n-heptanol 2.24
    ethylbenzene 0.14
    MIBK 2.27
    2-propoxyethanol 23.7
    tert-butanol 4.12
    MTBE 1.72
    2-butoxyethanol 14.44
    propionic acid 10.04
    o-xylene 0.39
    formic acid 78.52
    diethyl ether 3.63
    m-xylene 0.33
    p-xylene 0.14
    chlorobenzene 0.17
    dimethyl carbonate 11.31
    n-octane 0.09
    formamide 103.57
    cyclopentanone 23.96
    2-pentanone 7.84
    anisole 1.26
    cyclopentyl methyl ether 6.35
    gamma-butyrolactone 28.17
    1-methoxy-2-propanol 80.85
    pyridine 8.33
    3-pentanone 3.9
    furfural 19.58
    n-dodecane 0.09
    diethylene glycol 46.75
    diisopropyl ether 0.41
    tert-amyl alcohol 2.6
    acetylacetone 24.08
    n-hexadecane 0.11
    acetophenone 1.53
    methyl propionate 9.59
    isopentyl acetate 0.52
    trichloroethylene 1.12
    n-nonanol 2.66
    cyclohexanol 2.85
    benzyl alcohol 2.49
    2-ethylhexanol 0.45
    isooctanol 1.28
    dipropyl ether 2.06
    1,2-dichlorobenzene 0.13
    ethyl lactate 4.08
    propylene carbonate 3.79
    n-methylformamide 43.9
    2-pentanol 2.11
    n-pentane 0.04
    1-propoxy-2-propanol 11.43
    1-methoxy-2-propyl acetate 4.92
    2-(2-methoxypropoxy) propanol 11.73
    mesitylene 0.19
    ε-caprolactone 8.41
    p-cymene 0.17
    epichlorohydrin 21.08
    1,1,1-trichloroethane 0.18
    2-aminoethanol 34.84
    morpholine-4-carbaldehyde 78.35
    sulfolane 45.67
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 8.95
    n-hexyl acetate 2.66
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 22.35
    sec-butyl acetate 0.57
    tert-butyl acetate 2.98
    decalin 0.02
    glycerin 101.64
    diglyme 46.15
    acrylic acid 16.07
    isopropyl myristate 1.05
    n-butyric acid 9.92
    acetyl acetate 4.24
    di(2-ethylhexyl) phthalate 1.19
    ethyl propionate 1.51
    nitromethane 110.08
    1,2-diethoxyethane 8.0
    benzonitrile 0.86
    trioctyl phosphate 1.13
    1-bromopropane 0.23
    gamma-valerolactone 77.29
    n-decanol 1.81
    triethyl phosphate 0.75
    4-methyl-2-pentanol 0.72
    propionitrile 2.28
    vinylene carbonate 3.63
    1,1,2-trichlorotrifluoroethane 30.61
    DMS 2.47
    cumene 0.08
    2-octanol 1.44
    2-hexanone 1.43
    octyl acetate 2.01
    limonene 0.29
    1,2-dimethoxyethane 46.05
    ethyl orthosilicate 0.74
    tributyl phosphate 0.85
    diacetone alcohol 15.24
    N,N-dimethylaniline 0.9
    acrylonitrile 5.04
    aniline 2.61
    1,3-propanediol 50.96
    bromobenzene 0.1
    dibromomethane 0.15
    1,1,2,2-tetrachloroethane 1.08
    2-methyl-cyclohexyl acetate 0.6
    tetrabutyl urea 2.39
    diisobutyl methanol 0.46
    2-phenylethanol 1.33
    styrene 0.16
    dioctyl adipate 2.1
    dimethyl sulfate 18.5
    ethyl butyrate 1.11
    methyl lactate 22.65
    butyl lactate 3.44
    diethyl carbonate 0.66
    propanediol butyl ether 17.88
    triethyl orthoformate 1.46
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 3.98
    morpholine 44.85
    tert-butylamine 0.7
    n-dodecanol 1.21
    dimethoxymethane 73.31
    ethylene carbonate 3.12
    cyrene 13.0
    2-ethoxyethyl acetate 6.18
    2-ethylhexyl acetate 0.33
    1,2,4-trichlorobenzene 0.28
    4-methylpyridine 3.68
    dibutyl ether 1.92
    2,6-dimethyl-4-heptanol 0.46
    DEF 14.31
    dimethyl isosorbide 12.16
    tetrachloroethylene 0.7
    eugenol 4.57
    triacetin 5.34
    span 80 9.43
    1,4-butanediol 12.14
    1,1-dichloroethane 0.27
    2-methyl-1-pentanol 0.83
    methyl formate 35.01
    2-methyl-1-butanol 1.92
    n-decane 0.18
    butyronitrile 1.9
    3,7-dimethyl-1-octanol 1.07
    1-chlorooctane 0.48
    1-chlorotetradecane 0.19
    n-nonane 0.15
    undecane 0.13
    tert-butylcyclohexane 0.01
    cyclooctane 0.05
    cyclopentanol 5.71
    tetrahydropyran 8.1
    tert-amyl methyl ether 1.8
    2,5,8-trioxanonane 32.19
    1-hexene 0.07
    2-isopropoxyethanol 18.68
    2,2,2-trifluoroethanol 19.15
    methyl butyrate 1.95

    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