8-(2,4-Dihydroxyphenyl)-7-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one

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  • Identifiers

    CAS number
    54835-66-4

    Molecular formula
    C30H32O6

    SMILES
    CC(=CCCC(=CCC1=C(OC2=CC3=C(C=CC(O3)(C)C)C(=C2C1=O)O)C4=C(C=C(C=C4)O)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 44.45%
    Spicy 38.23%
    Woody 32.06%
    Phenolic 31.36%
    Sweet 26.27%
    Dry 25.21%
    Balsamic 23.58%
    Odorless 22.65%
    Animal 22.21%
    Floral 21.86%

     

    Flavor
    Bitter 82.14%
    Cedarleaf 19.83%
    Parsley 19.62%
    Lovage 19.6%
    Heather 18.54%
    Ripe apricot 18.21%
    Broom 18.17%
    Red fruit 18.15%
    Basil 18.09%
    Thymol 17.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    10.63 (weak base)

    Molecular weight
    488.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1611°C

    Flash point

    • 274.69 ˚C est.

  • Synonyms

    • 54835-66-4
    • DTXSID701105452
    • DB-296836
    • 2H,6H-Benzo[1,2-b:5,4-ba(2)]dipyran-6-one, 8-(2,4-dihydroxyphenyl)-7-(3,7-dimethyl-2,6-octadienyl)-5-hydroxy-2,2-dimethyl-
    • 8-(2,4-Dihydroxyphenyl)-7-(3,7-dimethyl-2,6-octadienyl)-5-hydroxy-2,2-dimethyl-2h,6h-benzo[1,2-b:5,4-b']dipyran-6-one
    • 54835-66-4

  • Applications

    8-(2,4-Dihydroxyphenyl)-7-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one (CAS 54835-66-4) is a multi-ring chromone-based compound typically used as an intermediate or building block in organic synthesis. Practically, it may serve as a precursor for the synthesis of chromene/pyranochromene pigments and dyes with applications in coatings, inks, and plastics. The compound can be evaluated as a UV-absorbing additive or stabilizer in polymer formulations and coatings. In pharmaceutical and medicinal chemistry research, it is often used as a synthetic scaffold for chromone-based libraries and SAR exploration. Additionally, it may be considered as a colorant precursor or functional pigment ingredient in cosmetic formulations, subject to formulation limits and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.16
    methanol 6.65
    isopropanol 2.02
    water 0.01
    ethyl acetate 6.88
    n-propanol 4.31
    acetone 11.8
    n-butanol 2.57
    acetonitrile 3.7
    DMF 55.34
    toluene 2.2
    isobutanol 2.62
    1,4-dioxane 20.32
    methyl acetate 13.04
    THF 44.31
    2-butanone 15.49
    n-pentanol 3.14
    sec-butanol 2.34
    n-hexane 0.06
    ethylene glycol 2.63
    NMP 96.37
    cyclohexane 0.08
    DMSO 52.2
    n-butyl acetate 7.29
    n-octanol 2.05
    chloroform 27.25
    n-propyl acetate 7.73
    acetic acid 29.0
    dichloromethane 19.44
    cyclohexanone 20.71
    propylene glycol 8.09
    isopropyl acetate 5.13
    DMAc 101.02
    2-ethoxyethanol 18.2
    isopentanol 2.29
    n-heptane 0.08
    ethyl formate 6.67
    1,2-dichloroethane 9.93
    n-hexanol 2.04
    2-methoxyethanol 31.39
    isobutyl acetate 6.28
    tetrachloromethane 1.07
    n-pentyl acetate 8.33
    transcutol 104.73
    n-heptanol 2.34
    ethylbenzene 0.96
    MIBK 5.0
    2-propoxyethanol 27.44
    tert-butanol 2.51
    MTBE 2.36
    2-butoxyethanol 16.22
    propionic acid 14.16
    o-xylene 1.21
    formic acid 11.34
    diethyl ether 1.96
    m-xylene 1.29
    p-xylene 1.67
    chlorobenzene 4.69
    dimethyl carbonate 14.44
    n-octane 0.05
    formamide 13.12
    cyclopentanone 40.96
    2-pentanone 7.04
    anisole 6.33
    cyclopentyl methyl ether 7.16
    gamma-butyrolactone 63.55
    1-methoxy-2-propanol 25.09
    pyridine 21.8
    3-pentanone 7.28
    furfural 43.69
    n-dodecane 0.07
    diethylene glycol 21.87
    diisopropyl ether 0.58
    tert-amyl alcohol 2.64
    acetylacetone 18.39
    n-hexadecane 0.08
    acetophenone 11.01
    methyl propionate 13.32
    isopentyl acetate 8.15
    trichloroethylene 43.5
    n-nonanol 2.32
    cyclohexanol 2.42
    benzyl alcohol 7.77
    2-ethylhexanol 1.74
    isooctanol 2.27
    dipropyl ether 2.78
    1,2-dichlorobenzene 5.13
    ethyl lactate 9.85
    propylene carbonate 20.67
    n-methylformamide 21.98
    2-pentanol 1.43
    n-pentane 0.05
    1-propoxy-2-propanol 20.49
    1-methoxy-2-propyl acetate 22.49
    2-(2-methoxypropoxy) propanol 26.64
    mesitylene 0.64
    ε-caprolactone 24.28
    p-cymene 1.01
    epichlorohydrin 68.47
    1,1,1-trichloroethane 6.72
    2-aminoethanol 6.49
    morpholine-4-carbaldehyde 86.44
    sulfolane 105.88
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 11.79
    n-hexyl acetate 9.07
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 31.09
    sec-butyl acetate 4.89
    tert-butyl acetate 7.13
    decalin 0.09
    glycerin 20.43
    diglyme 53.78
    acrylic acid 19.63
    isopropyl myristate 3.44
    n-butyric acid 11.04
    acetyl acetate 7.89
    di(2-ethylhexyl) phthalate 7.31
    ethyl propionate 6.51
    nitromethane 54.35
    1,2-diethoxyethane 14.72
    benzonitrile 6.63
    trioctyl phosphate 3.94
    1-bromopropane 2.43
    gamma-valerolactone 104.74
    n-decanol 1.58
    triethyl phosphate 5.51
    4-methyl-2-pentanol 1.15
    propionitrile 4.71
    vinylene carbonate 22.36
    1,1,2-trichlorotrifluoroethane 76.0
    DMS 18.03
    cumene 0.74
    2-octanol 1.37
    2-hexanone 7.94
    octyl acetate 4.96
    limonene 1.16
    1,2-dimethoxyethane 26.31
    ethyl orthosilicate 4.92
    tributyl phosphate 5.24
    diacetone alcohol 15.01
    N,N-dimethylaniline 4.67
    acrylonitrile 9.48
    aniline 5.53
    1,3-propanediol 7.88
    bromobenzene 4.34
    dibromomethane 7.49
    1,1,2,2-tetrachloroethane 32.01
    2-methyl-cyclohexyl acetate 8.58
    tetrabutyl urea 7.95
    diisobutyl methanol 1.25
    2-phenylethanol 7.03
    styrene 1.37
    dioctyl adipate 8.89
    dimethyl sulfate 32.48
    ethyl butyrate 6.21
    methyl lactate 21.14
    butyl lactate 13.44
    diethyl carbonate 5.0
    propanediol butyl ether 21.16
    triethyl orthoformate 7.55
    p-tert-butyltoluene 1.04
    methyl 4-tert-butylbenzoate 15.62
    morpholine 27.75
    tert-butylamine 0.74
    n-dodecanol 1.1
    dimethoxymethane 29.7
    ethylene carbonate 14.54
    cyrene 31.96
    2-ethoxyethyl acetate 21.85
    2-ethylhexyl acetate 6.14
    1,2,4-trichlorobenzene 11.58
    4-methylpyridine 13.47
    dibutyl ether 2.58
    2,6-dimethyl-4-heptanol 1.25
    DEF 13.84
    dimethyl isosorbide 50.97
    tetrachloroethylene 13.05
    eugenol 16.37
    triacetin 24.75
    span 80 18.74
    1,4-butanediol 3.51
    1,1-dichloroethane 6.48
    2-methyl-1-pentanol 2.9
    methyl formate 19.22
    2-methyl-1-butanol 2.6
    n-decane 0.11
    butyronitrile 3.1
    3,7-dimethyl-1-octanol 2.36
    1-chlorooctane 0.82
    1-chlorotetradecane 0.37
    n-nonane 0.08
    undecane 0.08
    tert-butylcyclohexane 0.09
    cyclooctane 0.04
    cyclopentanol 4.74
    tetrahydropyran 7.36
    tert-amyl methyl ether 2.4
    2,5,8-trioxanonane 38.04
    1-hexene 0.41
    2-isopropoxyethanol 11.93
    2,2,2-trifluoroethanol 8.1
    methyl butyrate 8.93

    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