9-Hydroxy-6-phenyl-8H-1,3-dioxolo(4,5-g)(1)benzopyran-8-one

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  • Identifiers

    CAS number
    110204-45-0

    Molecular formula
    C16H10O5

    SMILES
    C1OC2=C(O1)C(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 41.91%
    Odorless 36.38%
    Spicy 30.98%
    Fruity 28.27%
    Balsamic 27.15%
    Burnt 26.08%
    Sweet 25.61%
    Animal 21.07%
    Powdery 21.01%
    Vanilla 20.68%

     

    Flavor
    Bitter 94.6%
    Lovage 19.75%
    Cedarleaf 19.31%
    Parsley 19.17%
    Very strong 18.99%
    Naphthalic 18.92%
    Indole 18.88%
    Sweet-like 18.81%
    Ripe apricot 18.46%
    Moth ball 18.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.78 (neutral)

    Molecular weight
    282.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    578°C

    Melting point expt.

    • 205 °C

    Flash point

    • 228.99 ˚C est.

  • Synonyms

    • Cochliophilin A
    • 110204-45-0
    • 5-hydroxy-6,7-methylenedioxyflavone
    • 9JL54RT3QZ
    • 9-Hydroxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one
    • DTXSID901187957
    • 9-Hydroxy-6-phenyl-8H-1,3-dioxolo(4,5-g)(1)benzopyran-8-one
    • 9-Hydroxy-6-phenyl-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
    • 9-HYDROXY-6-PHENYL-2H,8H-[1,3]DIOXOLO[4,5-G]CHROMEN-8-ONE
    • 9-hydroxy-6-phenyl-(1,3)dioxolo(4,5-g)chromen-8-one
    • 9-hydroxy-6-phenyl-2H,8H-(1,3)dioxolo(4,5-g)chromen-8-one
    • RefChem:127355
    • DTXCID701619243
    • 9-Hydroxy-6-phenyl-8H-[1,3]dioxolo[4,5-g]chromen-8-one
    • 9-Oxidanyl-6-phenyl-(1,3)dioxolo(4,5-g)chromen-8-one
    • 8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 9-hydroxy-6-phenyl-
    • UNII-9JL54RT3QZ
    • Oprea1_580504
    • SCHEMBL971282
    • CHEMBL364596
    • orb1990543
    • CHEMBL-364596
    • CHEBI:174680
    • MFCD01084228
    • AKOS040736336
    • BS-44933
    • XC161677
    • F74924
    • 9-Hydroxy-6-phenyl-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-8-one
    • 110204-45-0

  • Applications

    9-Hydroxy-6-phenyl-8H-1,3-dioxolo(4,5-g)(1)benzopyran-8-one (CAS 110204-45-0) is primarily used as an intermediate or building block for the synthesis of chromone/benzopyran derivatives with potential biological activity, supporting pharmaceutical research and development. It is also evaluated as a precursor for fragrance and cosmetic-related compounds due to its benzodioxole motif and polycyclic framework. Additionally, the compound serves as a starting material for coatings/inks and as a building block for polymeric materials used in plastics, providing routes to derivatives for paints, binders, and plastic formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.8
    methanol 0.71
    isopropanol 1.08
    water 0.0
    ethyl acetate 6.9
    n-propanol 0.96
    acetone 10.91
    n-butanol 1.03
    acetonitrile 5.22
    DMF 30.79
    toluene 1.32
    isobutanol 0.99
    1,4-dioxane 13.63
    methyl acetate 10.19
    THF 44.48
    2-butanone 11.61
    n-pentanol 1.02
    sec-butanol 1.08
    n-hexane 0.01
    ethylene glycol 3.04
    NMP 43.01
    cyclohexane 0.04
    DMSO 115.75
    n-butyl acetate 7.17
    n-octanol 1.17
    chloroform 3.45
    n-propyl acetate 7.05
    acetic acid 10.01
    dichloromethane 4.9
    cyclohexanone 19.01
    propylene glycol 2.24
    isopropyl acetate 6.87
    DMAc 69.75
    2-ethoxyethanol 8.92
    isopentanol 1.9
    n-heptane 0.06
    ethyl formate 4.22
    1,2-dichloroethane 5.93
    n-hexanol 1.43
    2-methoxyethanol 19.36
    isobutyl acetate 5.53
    tetrachloromethane 0.31
    n-pentyl acetate 4.56
    transcutol 61.43
    n-heptanol 1.37
    ethylbenzene 0.86
    MIBK 6.56
    2-propoxyethanol 15.86
    tert-butanol 2.51
    MTBE 2.0
    2-butoxyethanol 8.72
    propionic acid 5.5
    o-xylene 1.22
    formic acid 4.92
    diethyl ether 1.49
    m-xylene 1.17
    p-xylene 1.53
    chlorobenzene 2.61
    dimethyl carbonate 13.32
    n-octane 0.04
    formamide 13.32
    cyclopentanone 31.68
    2-pentanone 6.76
    anisole 5.02
    cyclopentyl methyl ether 7.26
    gamma-butyrolactone 38.72
    1-methoxy-2-propanol 14.76
    pyridine 13.24
    3-pentanone 6.0
    furfural 31.32
    n-dodecane 0.1
    diethylene glycol 23.42
    diisopropyl ether 0.86
    tert-amyl alcohol 2.06
    acetylacetone 21.61
    n-hexadecane 0.13
    acetophenone 9.74
    methyl propionate 9.38
    isopentyl acetate 8.68
    trichloroethylene 15.78
    n-nonanol 1.52
    cyclohexanol 2.54
    benzyl alcohol 5.76
    2-ethylhexanol 1.91
    isooctanol 1.7
    dipropyl ether 2.8
    1,2-dichlorobenzene 3.17
    ethyl lactate 8.04
    propylene carbonate 15.14
    n-methylformamide 9.02
    2-pentanol 1.01
    n-pentane 0.02
    1-propoxy-2-propanol 11.77
    1-methoxy-2-propyl acetate 20.65
    2-(2-methoxypropoxy) propanol 17.54
    mesitylene 0.78
    ε-caprolactone 17.71
    p-cymene 1.66
    epichlorohydrin 41.49
    1,1,1-trichloroethane 3.11
    2-aminoethanol 2.78
    morpholine-4-carbaldehyde 41.93
    sulfolane 66.93
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 11.7
    n-hexyl acetate 5.45
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 17.79
    sec-butyl acetate 5.73
    tert-butyl acetate 9.21
    decalin 0.1
    glycerin 12.34
    diglyme 39.37
    acrylic acid 9.14
    isopropyl myristate 3.71
    n-butyric acid 5.65
    acetyl acetate 8.49
    di(2-ethylhexyl) phthalate 5.52
    ethyl propionate 7.15
    nitromethane 34.18
    1,2-diethoxyethane 11.44
    benzonitrile 7.34
    trioctyl phosphate 3.31
    1-bromopropane 1.12
    gamma-valerolactone 46.31
    n-decanol 1.33
    triethyl phosphate 6.99
    4-methyl-2-pentanol 1.39
    propionitrile 4.39
    vinylene carbonate 13.72
    1,1,2-trichlorotrifluoroethane 40.42
    DMS 14.94
    cumene 0.81
    2-octanol 0.93
    2-hexanone 6.89
    octyl acetate 4.21
    limonene 2.05
    1,2-dimethoxyethane 21.09
    ethyl orthosilicate 5.68
    tributyl phosphate 4.68
    diacetone alcohol 17.3
    N,N-dimethylaniline 3.8
    acrylonitrile 10.08
    aniline 4.49
    1,3-propanediol 5.63
    bromobenzene 2.24
    dibromomethane 1.83
    1,1,2,2-tetrachloroethane 12.34
    2-methyl-cyclohexyl acetate 8.13
    tetrabutyl urea 7.41
    diisobutyl methanol 2.02
    2-phenylethanol 7.08
    styrene 0.99
    dioctyl adipate 7.47
    dimethyl sulfate 32.15
    ethyl butyrate 7.28
    methyl lactate 14.45
    butyl lactate 6.77
    diethyl carbonate 6.73
    propanediol butyl ether 7.45
    triethyl orthoformate 7.55
    p-tert-butyltoluene 1.51
    methyl 4-tert-butylbenzoate 11.44
    morpholine 16.87
    tert-butylamine 0.84
    n-dodecanol 1.19
    dimethoxymethane 20.44
    ethylene carbonate 10.84
    cyrene 19.76
    2-ethoxyethyl acetate 12.33
    2-ethylhexyl acetate 6.27
    1,2,4-trichlorobenzene 6.09
    4-methylpyridine 9.7
    dibutyl ether 2.65
    2,6-dimethyl-4-heptanol 2.02
    DEF 11.95
    dimethyl isosorbide 32.66
    tetrachloroethylene 5.42
    eugenol 11.79
    triacetin 14.61
    span 80 9.71
    1,4-butanediol 2.01
    1,1-dichloroethane 2.49
    2-methyl-1-pentanol 1.79
    methyl formate 9.5
    2-methyl-1-butanol 1.39
    n-decane 0.13
    butyronitrile 2.89
    3,7-dimethyl-1-octanol 2.15
    1-chlorooctane 0.77
    1-chlorotetradecane 0.52
    n-nonane 0.08
    undecane 0.11
    tert-butylcyclohexane 0.09
    cyclooctane 0.02
    cyclopentanol 3.43
    tetrahydropyran 5.78
    tert-amyl methyl ether 2.33
    2,5,8-trioxanonane 32.06
    1-hexene 0.13
    2-isopropoxyethanol 7.35
    2,2,2-trifluoroethanol 7.15
    methyl butyrate 8.14

    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