Fraxinol

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  • Identifiers

    CAS number
    486-28-2

    Molecular formula
    C11H10O5

    SMILES
    COC1=C(C(=C2C=CC(=O)OC2=C1)OC)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 54.82%
    Phenolic 52.05%
    Vanilla 51.24%
    Burnt 40.53%
    Spicy 39.3%
    Caramellic 37.28%
    Balsamic 35.53%
    Smoky 35.21%
    Creamy 33.33%
    Powdery 32.95%

     

    Flavor
    Bitter 50.64%
    Sweet 44.12%
    Vanilla 32.41%
    Woody 32.18%
    Spice 30.17%
    Creamy 28.06%
    Smoky 27.83%
    Caramel 27.3%
    Powdery 25.67%
    Eugenol 23.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.37 (neutral)

    Molecular weight
    222.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    421°C

    Flash point

    • 167.27 ˚C est.

  • Synonyms

    • Fraxinol
    • 486-28-2
    • 6-hydroxy-5,7-dimethoxychromen-2-one
    • 2H-1-Benzopyran-2-one, 6-hydroxy-5,7-dimethoxy-
    • UNII-U330651DTI
    • 5,7-DIMETHOXY-6-HYDROXYCOUMARIN
    • 6-Hydroxy-5,7-dimethoxycoumarin
    • U330651DTI
    • DTXSID30197558
    • COUMARIN, 6-HYDROXY-5,7-DIMETHOXY-
    • RefChem:141516
    • DTXCID90120049
    • 6-hydroxy-5,7-dimethoxy-2H-chromen-2-one
    • 6-hydroxy-5,7-dimethoxy-chromen-2-one
    • MFCD08693526
    • Fraxinol (Standard)
    • 6-Hydroxy-5,7-dimethoxy-2H-1-benzopyran-2-one
    • CHEMBL611349
    • orb1303709
    • SCHEMBL7133703
    • EX-A8002C
    • HY-N2372R
    • WLZ4664
    • CHEBI:228872
    • HY-N2372
    • AKOS000278009
    • EBC-616242
    • FF73975
    • AC-34035
    • MS-23241
    • CS-0022552
    • Q27290621
    • 486-28-2

  • Applications

    Fraxinol (CAS 486-28-2) is a naturally occurring flavonoid primarily used as a chemical intermediate and as a potential antioxidant in formulation development. It is employed as a building block for the synthesis of more complex flavonoid derivatives in pharmaceutical and agrochemical research. It is also evaluated for cosmetic/personal care formulations as a natural antioxidant and stabilizer to help protect active ingredients from oxidative degradation. In industrial manufacturing and in coatings and inks, fraxinol can serve as a foundational building block or additive to impart functional properties, while in polymer and plastics chemistry it is used as a starting material for designing specialty materials. Additionally, it may be explored in cleaning and household products as an antioxidant additive to improve formulation stability, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.92
    methanol 5.25
    isopropanol 2.64
    water 0.02
    ethyl acetate 14.43
    n-propanol 3.43
    acetone 23.32
    n-butanol 3.01
    acetonitrile 13.48
    DMF 78.08
    toluene 2.36
    isobutanol 2.72
    1,4-dioxane 25.58
    methyl acetate 19.64
    THF 61.13
    2-butanone 18.43
    n-pentanol 3.41
    sec-butanol 2.97
    n-hexane 0.28
    ethylene glycol 3.84
    NMP 61.04
    cyclohexane 0.58
    DMSO 169.82
    n-butyl acetate 12.66
    n-octanol 3.83
    chloroform 9.32
    n-propyl acetate 12.38
    acetic acid 12.24
    dichloromethane 24.22
    cyclohexanone 27.01
    propylene glycol 1.4
    isopropyl acetate 8.25
    DMAc 68.76
    2-ethoxyethanol 17.36
    isopentanol 4.11
    n-heptane 0.6
    ethyl formate 13.19
    1,2-dichloroethane 26.46
    n-hexanol 5.08
    2-methoxyethanol 29.16
    isobutyl acetate 5.63
    tetrachloromethane 1.99
    n-pentyl acetate 8.69
    transcutol 35.45
    n-heptanol 3.89
    ethylbenzene 2.8
    MIBK 8.87
    2-propoxyethanol 19.7
    tert-butanol 6.2
    MTBE 5.46
    2-butoxyethanol 12.26
    propionic acid 6.4
    o-xylene 3.61
    formic acid 10.73
    diethyl ether 6.73
    m-xylene 2.5
    p-xylene 3.98
    chlorobenzene 5.68
    dimethyl carbonate 14.57
    n-octane 0.29
    formamide 30.34
    cyclopentanone 42.04
    2-pentanone 12.68
    anisole 9.98
    cyclopentyl methyl ether 13.8
    gamma-butyrolactone 55.28
    1-methoxy-2-propanol 13.97
    pyridine 21.12
    3-pentanone 12.76
    furfural 55.5
    n-dodecane 0.31
    diethylene glycol 24.55
    diisopropyl ether 1.93
    tert-amyl alcohol 5.67
    acetylacetone 25.31
    n-hexadecane 0.38
    acetophenone 15.5
    methyl propionate 16.46
    isopentyl acetate 11.13
    trichloroethylene 34.32
    n-nonanol 4.04
    cyclohexanol 4.63
    benzyl alcohol 8.59
    2-ethylhexanol 5.26
    isooctanol 3.66
    dipropyl ether 6.44
    1,2-dichlorobenzene 8.63
    ethyl lactate 8.08
    propylene carbonate 20.72
    n-methylformamide 27.44
    2-pentanol 2.09
    n-pentane 0.23
    1-propoxy-2-propanol 12.58
    1-methoxy-2-propyl acetate 17.17
    2-(2-methoxypropoxy) propanol 16.17
    mesitylene 1.82
    ε-caprolactone 24.28
    p-cymene 3.89
    epichlorohydrin 60.68
    1,1,1-trichloroethane 8.7
    2-aminoethanol 4.35
    morpholine-4-carbaldehyde 58.08
    sulfolane 84.59
    2,2,4-trimethylpentane 0.28
    2-methyltetrahydrofuran 23.78
    n-hexyl acetate 10.26
    isooctane 0.16
    2-(2-butoxyethoxy)ethanol 17.51
    sec-butyl acetate 6.69
    tert-butyl acetate 11.4
    decalin 0.58
    glycerin 7.06
    diglyme 46.05
    acrylic acid 8.09
    isopropyl myristate 4.37
    n-butyric acid 7.53
    acetyl acetate 10.29
    di(2-ethylhexyl) phthalate 6.27
    ethyl propionate 12.33
    nitromethane 52.15
    1,2-diethoxyethane 12.65
    benzonitrile 10.98
    trioctyl phosphate 4.4
    1-bromopropane 6.68
    gamma-valerolactone 55.32
    n-decanol 3.19
    triethyl phosphate 10.21
    4-methyl-2-pentanol 2.18
    propionitrile 9.0
    vinylene carbonate 19.76
    1,1,2-trichlorotrifluoroethane 37.74
    DMS 14.45
    cumene 2.63
    2-octanol 2.7
    2-hexanone 12.77
    octyl acetate 6.04
    limonene 5.11
    1,2-dimethoxyethane 52.49
    ethyl orthosilicate 8.38
    tributyl phosphate 5.47
    diacetone alcohol 16.89
    N,N-dimethylaniline 9.39
    acrylonitrile 16.05
    aniline 5.97
    1,3-propanediol 7.3
    bromobenzene 4.82
    dibromomethane 11.92
    1,1,2,2-tetrachloroethane 23.29
    2-methyl-cyclohexyl acetate 11.44
    tetrabutyl urea 9.38
    diisobutyl methanol 3.58
    2-phenylethanol 10.74
    styrene 2.76
    dioctyl adipate 7.94
    dimethyl sulfate 36.37
    ethyl butyrate 11.6
    methyl lactate 10.19
    butyl lactate 7.49
    diethyl carbonate 9.66
    propanediol butyl ether 8.04
    triethyl orthoformate 9.77
    p-tert-butyltoluene 3.38
    methyl 4-tert-butylbenzoate 14.59
    morpholine 27.04
    tert-butylamine 2.99
    n-dodecanol 2.45
    dimethoxymethane 41.41
    ethylene carbonate 15.97
    cyrene 19.9
    2-ethoxyethyl acetate 14.74
    2-ethylhexyl acetate 9.34
    1,2,4-trichlorobenzene 10.7
    4-methylpyridine 16.05
    dibutyl ether 5.06
    2,6-dimethyl-4-heptanol 3.58
    DEF 27.1
    dimethyl isosorbide 33.13
    tetrachloroethylene 19.09
    eugenol 14.57
    triacetin 12.45
    span 80 8.82
    1,4-butanediol 3.29
    1,1-dichloroethane 7.78
    2-methyl-1-pentanol 4.41
    methyl formate 29.21
    2-methyl-1-butanol 3.5
    n-decane 0.52
    butyronitrile 7.46
    3,7-dimethyl-1-octanol 3.91
    1-chlorooctane 2.65
    1-chlorotetradecane 1.17
    n-nonane 0.41
    undecane 0.4
    tert-butylcyclohexane 0.46
    cyclooctane 0.24
    cyclopentanol 6.5
    tetrahydropyran 13.5
    tert-amyl methyl ether 5.77
    2,5,8-trioxanonane 30.82
    1-hexene 1.31
    2-isopropoxyethanol 11.28
    2,2,2-trifluoroethanol 10.83
    methyl butyrate 17.19

    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