Fraxidin

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  • Identifiers

    CAS number
    525-21-3

    Molecular formula
    C11H10O5

    SMILES
    COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 49.04%
    Sweet 48.83%
    Phenolic 47.46%
    Fruity 46.31%
    Burnt 40.1%
    Caramellic 39.39%
    Spicy 35.3%
    Balsamic 33.52%
    Powdery 32.29%
    Creamy 31.66%

     

    Flavor
    Bitter 60.08%
    Sweet 30.35%
    Woody 27.72%
    Vanilla 27.55%
    Spice 27.08%
    Eugenol 23.16%
    Smoky 23.12%
    Creamy 22.65%
    Parsley 22.24%
    Powdery 21.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.55 (neutral)

    Molecular weight
    222.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    409°C

    Flash point

    • 169.41 ˚C est.

  • Synonyms

    • Fraxidin
    • 525-21-3
    • 2H-1-Benzopyran-2-one, 8-hydroxy-6,7-dimethoxy-
    • 8-hydroxy-6,7-dimethoxychromen-2-one
    • EINECS 208-370-7
    • 8-Hydroxy-6,7-dimethoxy-2-benzopyrone
    • 8-Hydroxy-6,7-dimethoxy-2H-1-benzopyran-2-one
    • DTXSID70200499
    • RefChem:600390
    • DTXCID20122990
    • 208-370-7
    • 8-hydroxy-6,7-dimethoxy-2H-chromen-2-one
    • 8-Hydroxy-6,7-dimethoxycoumarin
    • MFCD00017492
    • CHEMBL2334351
    • Fraxiden
    • 6,7-dimethoxy-8-hydroxycoumarin
    • 8-Hydroxy-6,7-dimethoxy-chromen-2-one
    • E674PBX5B8
    • orb1707293
    • SCHEMBL3190311
    • SCHEMBL29396102
    • CHEBI:81120
    • 8-hydroxy-6,7-dimethoxy coumarin
    • GLXC-03669
    • HY-N3907
    • BDBM50428430
    • Coumarin, 8-hydroxy-6,7-dimethoxy-
    • AKOS000278008
    • EBC-618524
    • FF65859
    • MS-23240
    • ST077083
    • DB-052136
    • CS-0024435
    • NS00032520
    • C17479
    • G12072
    • Q27155076
    • InChI=1/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H
    • 525-21-3

  • Applications

    Fraxidin (CAS 525-21-3) is a flavonoid-derived compound primarily encountered as a research chemical and specialty intermediate. It is commonly evaluated for potential uses as an antioxidant and antimicrobial agent in cosmetics and personal-care formulations; in pharmaceutical research it serves as a bioactive scaffold for flavonoid derivatives; in agriculture, its biological activity has been investigated for plant-protection and crop-protection applications; as a chemical intermediate, it enables synthesis of related flavonoids and other specialty chemicals; and in fragrance research it may be considered as a rare aroma component in niche formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.43
    methanol 3.16
    isopropanol 1.85
    water 0.01
    ethyl acetate 9.04
    n-propanol 2.13
    acetone 13.31
    n-butanol 2.09
    acetonitrile 6.88
    DMF 50.13
    toluene 1.53
    isobutanol 2.03
    1,4-dioxane 16.58
    methyl acetate 10.85
    THF 37.74
    2-butanone 11.14
    n-pentanol 2.71
    sec-butanol 2.11
    n-hexane 0.24
    ethylene glycol 2.7
    NMP 33.25
    cyclohexane 0.38
    DMSO 81.48
    n-butyl acetate 10.94
    n-octanol 4.48
    chloroform 6.18
    n-propyl acetate 9.88
    acetic acid 9.19
    dichloromethane 13.54
    cyclohexanone 17.76
    propylene glycol 0.9
    isopropyl acetate 6.79
    DMAc 46.14
    2-ethoxyethanol 13.85
    isopentanol 3.22
    n-heptane 0.67
    ethyl formate 7.44
    1,2-dichloroethane 17.32
    n-hexanol 4.96
    2-methoxyethanol 20.51
    isobutyl acetate 5.57
    tetrachloromethane 1.64
    n-pentyl acetate 9.45
    transcutol 27.57
    n-heptanol 4.57
    ethylbenzene 2.21
    MIBK 7.88
    2-propoxyethanol 18.06
    tert-butanol 5.46
    MTBE 5.15
    2-butoxyethanol 13.14
    propionic acid 4.07
    o-xylene 2.83
    formic acid 6.63
    diethyl ether 4.91
    m-xylene 1.99
    p-xylene 3.27
    chlorobenzene 3.65
    dimethyl carbonate 10.65
    n-octane 0.47
    formamide 17.34
    cyclopentanone 27.79
    2-pentanone 8.72
    anisole 7.33
    cyclopentyl methyl ether 9.87
    gamma-butyrolactone 35.65
    1-methoxy-2-propanol 11.07
    pyridine 13.01
    3-pentanone 8.87
    furfural 36.87
    n-dodecane 0.49
    diethylene glycol 21.16
    diisopropyl ether 1.94
    tert-amyl alcohol 5.06
    acetylacetone 17.7
    n-hexadecane 0.59
    acetophenone 12.65
    methyl propionate 9.94
    isopentyl acetate 11.36
    trichloroethylene 23.93
    n-nonanol 4.81
    cyclohexanol 3.34
    benzyl alcohol 6.56
    2-ethylhexanol 5.52
    isooctanol 4.47
    dipropyl ether 5.93
    1,2-dichlorobenzene 6.52
    ethyl lactate 6.64
    propylene carbonate 13.33
    n-methylformamide 15.73
    2-pentanol 1.77
    n-pentane 0.19
    1-propoxy-2-propanol 12.07
    1-methoxy-2-propyl acetate 15.09
    2-(2-methoxypropoxy) propanol 14.98
    mesitylene 1.72
    ε-caprolactone 16.24
    p-cymene 4.12
    epichlorohydrin 42.0
    1,1,1-trichloroethane 6.8
    2-aminoethanol 2.78
    morpholine-4-carbaldehyde 39.0
    sulfolane 58.62
    2,2,4-trimethylpentane 0.31
    2-methyltetrahydrofuran 14.59
    n-hexyl acetate 10.94
    isooctane 0.21
    2-(2-butoxyethoxy)ethanol 16.37
    sec-butyl acetate 6.15
    tert-butyl acetate 10.68
    decalin 0.56
    glycerin 5.43
    diglyme 40.88
    acrylic acid 5.35
    isopropyl myristate 5.09
    n-butyric acid 5.32
    acetyl acetate 6.85
    di(2-ethylhexyl) phthalate 6.02
    ethyl propionate 9.07
    nitromethane 30.82
    1,2-diethoxyethane 11.8
    benzonitrile 7.95
    trioctyl phosphate 4.94
    1-bromopropane 4.51
    gamma-valerolactone 37.15
    n-decanol 3.93
    triethyl phosphate 9.06
    4-methyl-2-pentanol 2.19
    propionitrile 5.6
    vinylene carbonate 13.01
    1,1,2-trichlorotrifluoroethane 28.83
    DMS 12.77
    cumene 2.44
    2-octanol 3.59
    2-hexanone 10.47
    octyl acetate 6.65
    limonene 5.08
    1,2-dimethoxyethane 38.71
    ethyl orthosilicate 8.02
    tributyl phosphate 5.71
    diacetone alcohol 15.82
    N,N-dimethylaniline 7.5
    acrylonitrile 9.72
    aniline 3.86
    1,3-propanediol 5.12
    bromobenzene 3.02
    dibromomethane 6.97
    1,1,2,2-tetrachloroethane 16.96
    2-methyl-cyclohexyl acetate 10.8
    tetrabutyl urea 9.54
    diisobutyl methanol 4.07
    2-phenylethanol 10.45
    styrene 2.08
    dioctyl adipate 8.03
    dimethyl sulfate 28.2
    ethyl butyrate 9.42
    methyl lactate 7.55
    butyl lactate 7.15
    diethyl carbonate 8.02
    propanediol butyl ether 7.89
    triethyl orthoformate 8.8
    p-tert-butyltoluene 3.76
    methyl 4-tert-butylbenzoate 14.77
    morpholine 17.3
    tert-butylamine 2.82
    n-dodecanol 3.1
    dimethoxymethane 29.82
    ethylene carbonate 10.48
    cyrene 17.09
    2-ethoxyethyl acetate 14.19
    2-ethylhexyl acetate 9.36
    1,2,4-trichlorobenzene 8.29
    4-methylpyridine 9.64
    dibutyl ether 5.7
    2,6-dimethyl-4-heptanol 4.07
    DEF 17.77
    dimethyl isosorbide 30.9
    tetrachloroethylene 14.36
    eugenol 14.78
    triacetin 12.24
    span 80 8.89
    1,4-butanediol 2.53
    1,1-dichloroethane 5.5
    2-methyl-1-pentanol 3.94
    methyl formate 16.52
    2-methyl-1-butanol 2.69
    n-decane 0.8
    butyronitrile 5.05
    3,7-dimethyl-1-octanol 4.64
    1-chlorooctane 3.35
    1-chlorotetradecane 1.57
    n-nonane 0.65
    undecane 0.62
    tert-butylcyclohexane 0.48
    cyclooctane 0.22
    cyclopentanol 4.4
    tetrahydropyran 8.5
    tert-amyl methyl ether 5.47
    2,5,8-trioxanonane 28.11
    1-hexene 1.08
    2-isopropoxyethanol 9.93
    2,2,2-trifluoroethanol 8.42
    methyl butyrate 12.59

    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