5,7-Dihydroxy-3-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-6,8-bis(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one

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  • Identifiers

    CAS number
    156281-31-1

    Molecular formula
    C30H32O6

    SMILES
    CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=C4C(=C(C=C3)O)C=CC(O4)(C)C)CC=C(C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 44.65%
    Phenolic 42.35%
    Fruity 35.84%
    Woody 34.26%
    Sweet 28.78%
    Herbal 28.32%
    Dry 26.99%
    Smoky 24.73%
    Burnt 23.12%
    Leathery 22.67%

     

    Flavor
    Bitter 87.57%
    Cedarleaf 19.72%
    Parsley 19.53%
    Lovage 19.2%
    Heather 18.16%
    Red fruit 18.08%
    Ripe apricot 18.07%
    Broom 18.04%
    Basil 17.86%
    Nitrile 17.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    9.62 (weak base)

    Molecular weight
    488.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1803°C

    Flash point

    • 242.58 ˚C est.

  • Synonyms

    • DTXSID601107043
    • 156281-31-1
    • 5,7-Dihydroxy-3-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-6,8-bis(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
    • RefChem:1072262
    • DTXCID201538698
    • Kanzonol L
    • CHEBI:193448
    • 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one
    • 156281-31-1

  • Applications

    5,7-Dihydroxy-3-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-6,8-bis(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one (CAS 156281-31-1) is a polyphenolic chromone derivative that serves as a versatile building block in organic synthesis for flavonoid-inspired compounds; in pharmaceutical and agrochemical R&D it functions as an intermediate in the preparation of bioactive scaffolds; in cosmetics and personal care it is investigated as an antioxidant and functional ingredient in formulations; in coatings, inks, and polymer systems it may act as an antioxidant or stabilizer, improving oxidative stability; and it can also be used as a fragrance/flavor synthesis intermediate and as a research scaffold for further functionalized chromone derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.34
    methanol 2.52
    isopropanol 2.15
    water 0.0
    ethyl acetate 9.78
    n-propanol 3.79
    acetone 10.81
    n-butanol 2.87
    acetonitrile 3.35
    DMF 35.55
    toluene 5.26
    isobutanol 2.95
    1,4-dioxane 19.5
    methyl acetate 14.07
    THF 65.94
    2-butanone 18.86
    n-pentanol 2.95
    sec-butanol 3.58
    n-hexane 0.13
    ethylene glycol 0.73
    NMP 76.18
    cyclohexane 0.19
    DMSO 29.18
    n-butyl acetate 9.21
    n-octanol 2.39
    chloroform 66.3
    n-propyl acetate 8.99
    acetic acid 16.17
    dichloromethane 44.25
    cyclohexanone 27.4
    propylene glycol 2.41
    isopropyl acetate 7.0
    DMAc 74.91
    2-ethoxyethanol 10.11
    isopentanol 2.8
    n-heptane 0.12
    ethyl formate 6.14
    1,2-dichloroethane 19.32
    n-hexanol 2.59
    2-methoxyethanol 14.23
    isobutyl acetate 6.78
    tetrachloromethane 2.13
    n-pentyl acetate 9.97
    transcutol 37.07
    n-heptanol 2.6
    ethylbenzene 2.19
    MIBK 6.49
    2-propoxyethanol 17.8
    tert-butanol 3.07
    MTBE 4.48
    2-butoxyethanol 11.96
    propionic acid 9.91
    o-xylene 2.75
    formic acid 3.4
    diethyl ether 3.6
    m-xylene 2.51
    p-xylene 3.2
    chlorobenzene 9.41
    dimethyl carbonate 10.84
    n-octane 0.07
    formamide 5.11
    cyclopentanone 45.81
    2-pentanone 10.56
    anisole 7.77
    cyclopentyl methyl ether 12.89
    gamma-butyrolactone 52.26
    1-methoxy-2-propanol 14.51
    pyridine 29.11
    3-pentanone 10.11
    furfural 35.73
    n-dodecane 0.08
    diethylene glycol 8.45
    diisopropyl ether 0.91
    tert-amyl alcohol 4.45
    acetylacetone 17.52
    n-hexadecane 0.1
    acetophenone 11.55
    methyl propionate 15.7
    isopentyl acetate 9.97
    trichloroethylene 80.47
    n-nonanol 2.7
    cyclohexanol 4.04
    benzyl alcohol 7.17
    2-ethylhexanol 2.33
    isooctanol 2.7
    dipropyl ether 3.69
    1,2-dichlorobenzene 9.06
    ethyl lactate 7.07
    propylene carbonate 19.35
    n-methylformamide 10.69
    2-pentanol 2.07
    n-pentane 0.12
    1-propoxy-2-propanol 13.09
    1-methoxy-2-propyl acetate 18.56
    2-(2-methoxypropoxy) propanol 16.3
    mesitylene 1.07
    ε-caprolactone 27.74
    p-cymene 1.59
    epichlorohydrin 74.26
    1,1,1-trichloroethane 14.44
    2-aminoethanol 2.18
    morpholine-4-carbaldehyde 55.69
    sulfolane 77.36
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 22.5
    n-hexyl acetate 10.66
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 17.23
    sec-butyl acetate 6.42
    tert-butyl acetate 8.2
    decalin 0.18
    glycerin 4.72
    diglyme 32.61
    acrylic acid 11.51
    isopropyl myristate 3.62
    n-butyric acid 10.67
    acetyl acetate 7.92
    di(2-ethylhexyl) phthalate 6.46
    ethyl propionate 8.38
    nitromethane 31.99
    1,2-diethoxyethane 10.49
    benzonitrile 6.71
    trioctyl phosphate 3.69
    1-bromopropane 6.62
    gamma-valerolactone 76.33
    n-decanol 1.75
    triethyl phosphate 5.43
    4-methyl-2-pentanol 1.54
    propionitrile 4.73
    vinylene carbonate 19.07
    1,1,2-trichlorotrifluoroethane 56.72
    DMS 14.76
    cumene 1.4
    2-octanol 1.95
    2-hexanone 9.98
    octyl acetate 5.3
    limonene 2.06
    1,2-dimethoxyethane 21.17
    ethyl orthosilicate 4.89
    tributyl phosphate 4.47
    diacetone alcohol 13.33
    N,N-dimethylaniline 5.87
    acrylonitrile 7.79
    aniline 8.39
    1,3-propanediol 3.8
    bromobenzene 9.51
    dibromomethane 19.36
    1,1,2,2-tetrachloroethane 54.23
    2-methyl-cyclohexyl acetate 8.38
    tetrabutyl urea 7.26
    diisobutyl methanol 1.49
    2-phenylethanol 7.77
    styrene 2.65
    dioctyl adipate 7.3
    dimethyl sulfate 22.18
    ethyl butyrate 7.15
    methyl lactate 11.49
    butyl lactate 10.32
    diethyl carbonate 5.12
    propanediol butyl ether 10.42
    triethyl orthoformate 7.21
    p-tert-butyltoluene 1.47
    methyl 4-tert-butylbenzoate 13.35
    morpholine 28.36
    tert-butylamine 1.18
    n-dodecanol 1.15
    dimethoxymethane 20.48
    ethylene carbonate 13.18
    cyrene 21.23
    2-ethoxyethyl acetate 18.86
    2-ethylhexyl acetate 7.93
    1,2,4-trichlorobenzene 17.37
    4-methylpyridine 20.81
    dibutyl ether 3.14
    2,6-dimethyl-4-heptanol 1.49
    DEF 18.0
    dimethyl isosorbide 33.35
    tetrachloroethylene 23.33
    eugenol 12.79
    triacetin 15.95
    span 80 13.05
    1,4-butanediol 1.58
    1,1-dichloroethane 14.94
    2-methyl-1-pentanol 3.36
    methyl formate 9.87
    2-methyl-1-butanol 3.63
    n-decane 0.15
    butyronitrile 3.85
    3,7-dimethyl-1-octanol 2.85
    1-chlorooctane 1.32
    1-chlorotetradecane 0.46
    n-nonane 0.12
    undecane 0.11
    tert-butylcyclohexane 0.17
    cyclooctane 0.07
    cyclopentanol 7.21
    tetrahydropyran 13.63
    tert-amyl methyl ether 4.7
    2,5,8-trioxanonane 21.99
    1-hexene 0.91
    2-isopropoxyethanol 8.36
    2,2,2-trifluoroethanol 4.46
    methyl butyrate 11.37

    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