4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 3-(2,4-dihydroxyphenyl)-2,3,9,10-tetrahydro-5,9-dihydroxy-8,8-dimethyl-

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  • Identifiers

    CAS number
    104363-15-7

    Molecular formula
    C20H20O7

    SMILES
    CC1(C(CC2=C(O1)C=C(C3=C2OCC(C3=O)C4=C(C=C(C=C4)O)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 49.41%
    Odorless 48.44%
    Sweet 38.14%
    Vanilla 33.08%
    Spicy 32.05%
    Creamy 24.61%
    Smoky 24.54%
    Balsamic 24.29%
    Burnt 22.95%
    Medicinal 20.92%

     

    Flavor
    Bitter 93.87%
    Bland 25.18%
    Sweet-like 21.34%
    Odorless 20.89%
    Cedarleaf 20.8%
    Parsley 19.98%
    Lovage 19.62%
    Ripe apricot 19.06%
    Red fruit 18.88%
    Eugenol 18.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.43 (weak base)

    Molecular weight
    372.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1682°C

    Flash point

    • 279.0 ˚C est.

  • Synonyms

    • 104363-15-7
    • 4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 3-(2,4-dihydroxyphenyl)-2,3,9,10-tetrahydro-5,9-dihydroxy-8,8-dimethyl-
    • 4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 3-(2,4-dihydroxyphenyl)-2,3,9,10-tetrahydro-5,9-dihydroxy-8,8-dimethyl-
    • RefChem:296755
    • Cyclokievitone hydrate
    • SCHEMBL29378032
    • CHEBI:175781
    • DTXSID501107888
    • 3-(2,4-dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
    • 4H,8H-Benzo[1,2-b:3,4-ba(2)]dipyran-4-one, 3-(2,4-dihydroxyphenyl)-2,3,9,10-tetrahydro-5,9-dihydroxy-8,8-dimethyl-
    • 104363-15-7

  • Applications

    4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 3-(2,4-dihydroxyphenyl)-2,3,9,10-tetrahydro-5,9-dihydroxy-8,8-dimethyl- (CAS 104363-15-7) is typically used as an intermediate and building block in pharmaceutical synthesis, enabling construction of chromone/dipyran scaffolds. It is also explored as a precursor for dyes and pigment formulations, including coatings and inks, due to its polycyclic, phenolic structure. In research and development, it serves as a versatile reagent for organic synthesis and as a scaffold for studies in materials science and polymer modification. The compound may be evaluated as a starting material for the synthesis of flavonoid-like derivatives and functionalized polymers, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.97
    methanol 45.78
    isopropanol 19.86
    water 0.14
    ethyl acetate 22.57
    n-propanol 22.43
    acetone 88.4
    n-butanol 15.2
    acetonitrile 29.08
    DMF 168.57
    toluene 1.11
    isobutanol 10.23
    1,4-dioxane 54.59
    methyl acetate 30.4
    THF 251.08
    2-butanone 48.19
    n-pentanol 8.05
    sec-butanol 9.55
    n-hexane 0.07
    ethylene glycol 18.13
    NMP 88.91
    cyclohexane 0.21
    DMSO 584.95
    n-butyl acetate 10.11
    n-octanol 4.17
    chloroform 11.63
    n-propyl acetate 14.08
    acetic acid 96.55
    dichloromethane 8.15
    cyclohexanone 54.29
    propylene glycol 13.37
    isopropyl acetate 13.11
    DMAc 199.21
    2-ethoxyethanol 62.3
    isopentanol 10.96
    n-heptane 0.1
    ethyl formate 31.96
    1,2-dichloroethane 8.85
    n-hexanol 5.29
    2-methoxyethanol 165.01
    isobutyl acetate 6.22
    tetrachloromethane 1.52
    n-pentyl acetate 7.23
    transcutol 48.72
    n-heptanol 4.63
    ethylbenzene 0.69
    MIBK 13.5
    2-propoxyethanol 58.73
    tert-butanol 19.08
    MTBE 4.18
    2-butoxyethanol 24.44
    propionic acid 24.15
    o-xylene 0.99
    formic acid 70.26
    diethyl ether 7.89
    m-xylene 0.97
    p-xylene 1.12
    chlorobenzene 1.64
    dimethyl carbonate 28.26
    n-octane 0.08
    formamide 111.3
    cyclopentanone 106.39
    2-pentanone 30.98
    anisole 5.08
    cyclopentyl methyl ether 16.91
    gamma-butyrolactone 107.04
    1-methoxy-2-propanol 83.87
    pyridine 19.93
    3-pentanone 16.31
    furfural 51.58
    n-dodecane 0.12
    diethylene glycol 61.73
    diisopropyl ether 1.35
    tert-amyl alcohol 8.69
    acetylacetone 51.66
    n-hexadecane 0.14
    acetophenone 9.66
    methyl propionate 27.73
    isopentyl acetate 8.76
    trichloroethylene 19.83
    n-nonanol 4.61
    cyclohexanol 9.07
    benzyl alcohol 8.91
    2-ethylhexanol 2.98
    isooctanol 3.72
    dipropyl ether 4.73
    1,2-dichlorobenzene 1.99
    ethyl lactate 16.06
    propylene carbonate 28.65
    n-methylformamide 97.52
    2-pentanol 5.18
    n-pentane 0.09
    1-propoxy-2-propanol 27.0
    1-methoxy-2-propyl acetate 21.48
    2-(2-methoxypropoxy) propanol 22.89
    mesitylene 0.7
    ε-caprolactone 37.31
    p-cymene 0.93
    epichlorohydrin 101.45
    1,1,1-trichloroethane 5.58
    2-aminoethanol 24.68
    morpholine-4-carbaldehyde 94.83
    sulfolane 145.07
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 33.25
    n-hexyl acetate 8.8
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 29.3
    sec-butyl acetate 6.71
    tert-butyl acetate 12.72
    decalin 0.12
    glycerin 42.88
    diglyme 57.22
    acrylic acid 26.36
    isopropyl myristate 3.88
    n-butyric acid 32.8
    acetyl acetate 17.05
    di(2-ethylhexyl) phthalate 6.0
    ethyl propionate 13.19
    nitromethane 202.89
    1,2-diethoxyethane 11.55
    benzonitrile 7.5
    trioctyl phosphate 5.24
    1-bromopropane 2.93
    gamma-valerolactone 146.64
    n-decanol 3.33
    triethyl phosphate 7.42
    4-methyl-2-pentanol 3.57
    propionitrile 19.87
    vinylene carbonate 26.28
    1,1,2-trichlorotrifluoroethane 73.61
    DMS 12.09
    cumene 0.54
    2-octanol 2.48
    2-hexanone 15.79
    octyl acetate 5.87
    limonene 1.3
    1,2-dimethoxyethane 92.01
    ethyl orthosilicate 6.19
    tributyl phosphate 5.94
    diacetone alcohol 31.69
    N,N-dimethylaniline 3.68
    acrylonitrile 31.3
    aniline 5.4
    1,3-propanediol 52.89
    bromobenzene 1.15
    dibromomethane 3.8
    1,1,2,2-tetrachloroethane 17.02
    2-methyl-cyclohexyl acetate 7.96
    tetrabutyl urea 10.39
    diisobutyl methanol 2.24
    2-phenylethanol 8.73
    styrene 0.74
    dioctyl adipate 8.13
    dimethyl sulfate 52.76
    ethyl butyrate 9.46
    methyl lactate 34.44
    butyl lactate 10.12
    diethyl carbonate 7.57
    propanediol butyl ether 16.83
    triethyl orthoformate 8.33
    p-tert-butyltoluene 0.87
    methyl 4-tert-butylbenzoate 12.11
    morpholine 78.26
    tert-butylamine 3.33
    n-dodecanol 2.32
    dimethoxymethane 113.19
    ethylene carbonate 26.86
    cyrene 28.9
    2-ethoxyethyl acetate 13.99
    2-ethylhexyl acetate 6.04
    1,2,4-trichlorobenzene 3.56
    4-methylpyridine 13.82
    dibutyl ether 3.34
    2,6-dimethyl-4-heptanol 2.24
    DEF 36.14
    dimethyl isosorbide 36.96
    tetrachloroethylene 10.36
    eugenol 14.39
    triacetin 13.77
    span 80 14.2
    1,4-butanediol 14.94
    1,1-dichloroethane 5.63
    2-methyl-1-pentanol 5.86
    methyl formate 81.5
    2-methyl-1-butanol 8.32
    n-decane 0.19
    butyronitrile 16.03
    3,7-dimethyl-1-octanol 3.46
    1-chlorooctane 1.1
    1-chlorotetradecane 0.51
    n-nonane 0.13
    undecane 0.15
    tert-butylcyclohexane 0.09
    cyclooctane 0.08
    cyclopentanol 18.65
    tetrahydropyran 25.41
    tert-amyl methyl ether 3.76
    2,5,8-trioxanonane 41.51
    1-hexene 0.41
    2-isopropoxyethanol 26.26
    2,2,2-trifluoroethanol 32.07
    methyl butyrate 21.37

    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