Aureol

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  • Identifiers

    CAS number
    88478-03-9

    Molecular formula
    C15H8O6

    SMILES
    C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=CC(=CC(=C43)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 55.94%
    Phenolic 50.25%
    Burnt 31.86%
    Nutty 21.17%
    Medicinal 20.54%
    Animal 19.02%
    Savory 18.09%
    Smoky 18.0%
    Bitter 17.92%
    Musty 17.4%

     

    Flavor
    Bitter 95.64%
    Odorless 24.58%
    Very strong 19.77%
    Sweet-like 19.73%
    Cedarleaf 19.57%
    Indole 19.54%
    Nitrile 19.43%
    Rotten 19.1%
    Formyl 18.7%
    Parsley 18.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.02 (weak base)

    Molecular weight
    284.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    751°C

    Flash point

    • 273.06 ˚C est.

  • Synonyms

    • Aureol
    • 88478-03-9
    • 1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one
    • DTXSID00237071
    • 1,3,9-trihydroxy-(1)benzofuro(3,2-c)chromen-6-one
    • RefChem:115631
    • DTXCID00159562
    • (1S,10R,11S,14S)-10,11,15,15-tetramethyl-2-oxatetracyclo(8.8.0.01,14.03,8)octadeca-3(8),4,6-trien-6-ol
    • 1,3,9-Trihydroxycoumestan
    • Aureol (phytoalexin)
    • Aureol?
    • SCHEMBL517478
    • CHEBI:169763
    • LMPK12090039
    • 1,3,9-trihydroxy-[1]benzouro[3,2-c]chromen-6-one
    • 1,3,9-Trihydroxy-6H-[1]benzofuro[3,2-c][1]benzopyran-6-one
    • 1,3,9-Trihydroxy-6H-benzofuro[3,2-c]benzopyran-6-one, 9CI
    • 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 1,3,9-trihydroxy-
    • 88478-03-9

  • Applications

    Aureol (CAS 88478-03-9) is used primarily as a fragrance ingredient in perfumery and cosmetics, where it acts as an odorant and, in some formulations, as a fixative to slow evaporation. It is commonly evaluated as an intermediate in fragrance and flavor synthesis. In personal care products, Aureol may be incorporated into perfumes, bath products and moisturizers to contribute a specific aroma. In household and cleaning products, it is used as a fragrance additive in items such as air fresheners and detergents. In industrial settings, it can be employed as an intermediate for fragrance synthesis or incorporated into polymers, coatings or inks to impart a characteristic scent, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.77
    methanol 21.88
    isopropanol 16.36
    water 0.33
    ethyl acetate 15.74
    n-propanol 16.66
    acetone 24.91
    n-butanol 16.42
    acetonitrile 12.6
    DMF 390.47
    toluene 0.54
    isobutanol 10.6
    1,4-dioxane 28.46
    methyl acetate 21.97
    THF 120.14
    2-butanone 33.37
    n-pentanol 10.48
    sec-butanol 14.28
    n-hexane 0.03
    ethylene glycol 91.1
    NMP 247.54
    cyclohexane 0.04
    DMSO 1635.02
    n-butyl acetate 14.56
    n-octanol 4.21
    chloroform 0.15
    n-propyl acetate 19.62
    acetic acid 36.03
    dichloromethane 0.24
    cyclohexanone 33.81
    propylene glycol 111.23
    isopropyl acetate 12.58
    DMAc 290.58
    2-ethoxyethanol 128.39
    isopentanol 13.53
    n-heptane 0.06
    ethyl formate 20.72
    1,2-dichloroethane 0.83
    n-hexanol 5.19
    2-methoxyethanol 368.54
    isobutyl acetate 7.84
    tetrachloromethane 0.04
    n-pentyl acetate 10.42
    transcutol 285.14
    n-heptanol 4.37
    ethylbenzene 0.45
    MIBK 12.37
    2-propoxyethanol 121.3
    tert-butanol 15.08
    MTBE 3.07
    2-butoxyethanol 44.95
    propionic acid 37.45
    o-xylene 0.57
    formic acid 48.74
    diethyl ether 3.53
    m-xylene 0.54
    p-xylene 0.63
    chlorobenzene 0.4
    dimethyl carbonate 32.52
    n-octane 0.03
    formamide 118.48
    cyclopentanone 82.51
    2-pentanone 26.24
    anisole 4.82
    cyclopentyl methyl ether 13.01
    gamma-butyrolactone 124.71
    1-methoxy-2-propanol 305.47
    pyridine 11.87
    3-pentanone 12.07
    furfural 76.29
    n-dodecane 0.08
    diethylene glycol 224.53
    diisopropyl ether 0.84
    tert-amyl alcohol 11.93
    acetylacetone 47.69
    n-hexadecane 0.1
    acetophenone 12.22
    methyl propionate 32.32
    isopentyl acetate 11.63
    trichloroethylene 1.25
    n-nonanol 4.8
    cyclohexanol 10.57
    benzyl alcohol 13.07
    2-ethylhexanol 3.55
    isooctanol 3.4
    dipropyl ether 5.18
    1,2-dichlorobenzene 0.52
    ethyl lactate 50.85
    propylene carbonate 41.78
    n-methylformamide 137.12
    2-pentanol 8.86
    n-pentane 0.03
    1-propoxy-2-propanol 89.31
    1-methoxy-2-propyl acetate 54.07
    2-(2-methoxypropoxy) propanol 61.08
    mesitylene 0.37
    ε-caprolactone 49.6
    p-cymene 0.72
    epichlorohydrin 67.09
    1,1,1-trichloroethane 0.26
    2-aminoethanol 80.04
    morpholine-4-carbaldehyde 248.06
    sulfolane 287.56
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 22.65
    n-hexyl acetate 11.49
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 98.39
    sec-butyl acetate 9.5
    tert-butyl acetate 12.35
    decalin 0.05
    glycerin 327.81
    diglyme 130.36
    acrylic acid 48.48
    isopropyl myristate 5.55
    n-butyric acid 38.49
    acetyl acetate 8.71
    di(2-ethylhexyl) phthalate 8.87
    ethyl propionate 17.51
    nitromethane 122.45
    1,2-diethoxyethane 23.83
    benzonitrile 7.59
    trioctyl phosphate 7.55
    1-bromopropane 0.4
    gamma-valerolactone 228.59
    n-decanol 3.96
    triethyl phosphate 9.07
    4-methyl-2-pentanol 4.81
    propionitrile 12.58
    vinylene carbonate 28.27
    1,1,2-trichlorotrifluoroethane 98.78
    DMS 21.38
    cumene 0.37
    2-octanol 2.91
    2-hexanone 19.07
    octyl acetate 8.14
    limonene 0.93
    1,2-dimethoxyethane 117.99
    ethyl orthosilicate 7.0
    tributyl phosphate 9.22
    diacetone alcohol 71.94
    N,N-dimethylaniline 4.14
    acrylonitrile 26.12
    aniline 4.61
    1,3-propanediol 128.58
    bromobenzene 0.19
    dibromomethane 0.14
    1,1,2,2-tetrachloroethane 1.83
    2-methyl-cyclohexyl acetate 9.66
    tetrabutyl urea 15.43
    diisobutyl methanol 2.91
    2-phenylethanol 9.59
    styrene 0.42
    dioctyl adipate 13.2
    dimethyl sulfate 83.65
    ethyl butyrate 13.3
    methyl lactate 139.46
    butyl lactate 34.45
    diethyl carbonate 8.98
    propanediol butyl ether 72.36
    triethyl orthoformate 12.72
    p-tert-butyltoluene 0.71
    methyl 4-tert-butylbenzoate 17.0
    morpholine 81.16
    tert-butylamine 2.62
    n-dodecanol 3.1
    dimethoxymethane 120.44
    ethylene carbonate 25.4
    cyrene 77.12
    2-ethoxyethyl acetate 28.93
    2-ethylhexyl acetate 7.42
    1,2,4-trichlorobenzene 1.13
    4-methylpyridine 10.1
    dibutyl ether 4.34
    2,6-dimethyl-4-heptanol 2.91
    DEF 51.3
    dimethyl isosorbide 85.48
    tetrachloroethylene 0.69
    eugenol 25.91
    triacetin 28.8
    span 80 40.6
    1,4-butanediol 41.6
    1,1-dichloroethane 0.34
    2-methyl-1-pentanol 8.1
    methyl formate 76.21
    2-methyl-1-butanol 11.55
    n-decane 0.1
    butyronitrile 11.04
    3,7-dimethyl-1-octanol 4.51
    1-chlorooctane 0.5
    1-chlorotetradecane 0.36
    n-nonane 0.07
    undecane 0.09
    tert-butylcyclohexane 0.04
    cyclooctane 0.03
    cyclopentanol 21.14
    tetrahydropyran 8.95
    tert-amyl methyl ether 4.08
    2,5,8-trioxanonane 104.15
    1-hexene 0.23
    2-isopropoxyethanol 61.87
    2,2,2-trifluoroethanol 23.43
    methyl butyrate 27.24

    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