6H,7H-(1)Benzopyrano(4,3-b)(1)benzopyran-7-one, 3,8,10-trihydroxy-2-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    145643-97-6

    Molecular formula
    C26H26O7

    SMILES
    CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C4=CC(=C(C=C4OC3C=C(C)C)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 47.56%
    Phenolic 46.11%
    Woody 34.66%
    Smoky 29.14%
    Sweet 25.91%
    Dry 25.57%
    Herbal 25.44%
    Odorless 25.15%
    Burnt 24.79%
    Fruity 23.75%

     

    Flavor
    Bitter 90.35%
    Cedarleaf 19.87%
    Parsley 19.79%
    Bland 19.62%
    Lovage 19.37%
    Heather 17.97%
    Ripe apricot 17.95%
    Red fruit 17.89%
    Sweet-like 17.87%
    Broom 17.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    10.11 (weak base)

    Molecular weight
    450.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1563°C

    Melting point expt.

    • 250 - 252 °C

    Flash point

    • 263.76 ˚C est.

  • Synonyms

    • 145643-97-6
    • 6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one, 3,8,10-trihydroxy-2-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-
    • 6H,7H-(1)Benzopyrano(4,3-b)(1)benzopyran-7-one, 3,8,10-trihydroxy-2-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-
    • RefChem:309471
    • Dihydroisocycloartomunin
    • SCHEMBL6700514
    • CHEBI:176142
    • DTXSID001103912
    • LMPK12110938
    • 3,8,10-Trihydroxy-2-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one
    • 3,8,10-trihydroxy-2-methoxy-11-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
    • 145643-97-6

  • Applications

    6H,7H-(1)Benzopyrano(4,3-b)(1)benzopyran-7-one, 3,8,10-trihydroxy-2-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)- (CAS 145643-97-6) is primarily encountered as an intermediate in organic synthesis, but is also evaluated for a range of practical applications across cosmetics, fragrances, coatings and polymers, and industrial manufacturing: in cosmetics/personal care as an antioxidant and functional ingredient; in perfumery as an odorant or potential fixative; in coatings and inks as a colorant precursor and as a stabilizing additive in polymer formulations; and as a versatile building block in pharmaceutical and specialty chemical synthesis, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.54
    methanol 3.46
    isopropanol 2.3
    water 0.01
    ethyl acetate 7.46
    n-propanol 3.71
    acetone 12.62
    n-butanol 2.43
    acetonitrile 5.34
    DMF 58.19
    toluene 2.02
    isobutanol 2.58
    1,4-dioxane 16.09
    methyl acetate 14.23
    THF 41.52
    2-butanone 15.68
    n-pentanol 2.72
    sec-butanol 2.64
    n-hexane 0.08
    ethylene glycol 3.83
    NMP 114.27
    cyclohexane 0.12
    DMSO 65.71
    n-butyl acetate 7.92
    n-octanol 1.75
    chloroform 25.11
    n-propyl acetate 8.01
    acetic acid 38.07
    dichloromethane 18.55
    cyclohexanone 23.68
    propylene glycol 7.7
    isopropyl acetate 5.5
    DMAc 97.71
    2-ethoxyethanol 15.32
    isopentanol 2.34
    n-heptane 0.1
    ethyl formate 6.86
    1,2-dichloroethane 10.9
    n-hexanol 2.02
    2-methoxyethanol 26.26
    isobutyl acetate 6.12
    tetrachloromethane 1.35
    n-pentyl acetate 7.59
    transcutol 67.29
    n-heptanol 2.16
    ethylbenzene 1.07
    MIBK 5.19
    2-propoxyethanol 23.17
    tert-butanol 3.04
    MTBE 2.37
    2-butoxyethanol 14.32
    propionic acid 16.3
    o-xylene 1.44
    formic acid 12.62
    diethyl ether 1.98
    m-xylene 1.32
    p-xylene 1.94
    chlorobenzene 4.32
    dimethyl carbonate 18.82
    n-octane 0.06
    formamide 16.2
    cyclopentanone 47.02
    2-pentanone 7.86
    anisole 4.89
    cyclopentyl methyl ether 7.84
    gamma-butyrolactone 68.09
    1-methoxy-2-propanol 21.94
    pyridine 19.52
    3-pentanone 8.01
    furfural 45.21
    n-dodecane 0.08
    diethylene glycol 23.79
    diisopropyl ether 0.65
    tert-amyl alcohol 3.15
    acetylacetone 18.33
    n-hexadecane 0.09
    acetophenone 10.71
    methyl propionate 15.01
    isopentyl acetate 8.11
    trichloroethylene 43.73
    n-nonanol 2.05
    cyclohexanol 3.27
    benzyl alcohol 7.46
    2-ethylhexanol 1.74
    isooctanol 2.17
    dipropyl ether 2.78
    1,2-dichlorobenzene 4.96
    ethyl lactate 11.04
    propylene carbonate 26.91
    n-methylformamide 20.15
    2-pentanol 1.53
    n-pentane 0.07
    1-propoxy-2-propanol 17.41
    1-methoxy-2-propyl acetate 21.05
    2-(2-methoxypropoxy) propanol 21.52
    mesitylene 0.69
    ε-caprolactone 26.51
    p-cymene 1.3
    epichlorohydrin 58.97
    1,1,1-trichloroethane 8.82
    2-aminoethanol 6.17
    morpholine-4-carbaldehyde 78.9
    sulfolane 123.71
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 13.21
    n-hexyl acetate 7.3
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 24.36
    sec-butyl acetate 5.24
    tert-butyl acetate 7.07
    decalin 0.13
    glycerin 20.83
    diglyme 41.27
    acrylic acid 24.83
    isopropyl myristate 3.23
    n-butyric acid 12.91
    acetyl acetate 8.89
    di(2-ethylhexyl) phthalate 6.64
    ethyl propionate 7.27
    nitromethane 66.55
    1,2-diethoxyethane 10.0
    benzonitrile 7.36
    trioctyl phosphate 3.98
    1-bromopropane 2.84
    gamma-valerolactone 89.51
    n-decanol 1.49
    triethyl phosphate 6.36
    4-methyl-2-pentanol 1.26
    propionitrile 5.25
    vinylene carbonate 25.88
    1,1,2-trichlorotrifluoroethane 88.52
    DMS 18.25
    cumene 0.87
    2-octanol 1.39
    2-hexanone 7.67
    octyl acetate 4.46
    limonene 1.45
    1,2-dimethoxyethane 21.34
    ethyl orthosilicate 5.23
    tributyl phosphate 5.34
    diacetone alcohol 16.15
    N,N-dimethylaniline 4.59
    acrylonitrile 11.07
    aniline 5.97
    1,3-propanediol 7.79
    bromobenzene 3.88
    dibromomethane 7.93
    1,1,2,2-tetrachloroethane 33.73
    2-methyl-cyclohexyl acetate 8.22
    tetrabutyl urea 8.13
    diisobutyl methanol 1.45
    2-phenylethanol 7.54
    styrene 1.43
    dioctyl adipate 7.93
    dimethyl sulfate 46.6
    ethyl butyrate 6.66
    methyl lactate 24.79
    butyl lactate 12.52
    diethyl carbonate 5.72
    propanediol butyl ether 15.94
    triethyl orthoformate 7.06
    p-tert-butyltoluene 1.27
    methyl 4-tert-butylbenzoate 14.63
    morpholine 24.39
    tert-butylamine 0.93
    n-dodecanol 1.1
    dimethoxymethane 27.25
    ethylene carbonate 18.06
    cyrene 32.5
    2-ethoxyethyl acetate 17.11
    2-ethylhexyl acetate 6.28
    1,2,4-trichlorobenzene 10.67
    4-methylpyridine 13.96
    dibutyl ether 2.09
    2,6-dimethyl-4-heptanol 1.45
    DEF 15.67
    dimethyl isosorbide 42.44
    tetrachloroethylene 14.54
    eugenol 15.35
    triacetin 20.84
    span 80 16.7
    1,4-butanediol 3.45
    1,1-dichloroethane 8.0
    2-methyl-1-pentanol 2.78
    methyl formate 19.57
    2-methyl-1-butanol 2.57
    n-decane 0.12
    butyronitrile 3.35
    3,7-dimethyl-1-octanol 2.15
    1-chlorooctane 0.74
    1-chlorotetradecane 0.37
    n-nonane 0.09
    undecane 0.09
    tert-butylcyclohexane 0.11
    cyclooctane 0.05
    cyclopentanol 6.99
    tetrahydropyran 7.45
    tert-amyl methyl ether 2.55
    2,5,8-trioxanonane 31.61
    1-hexene 0.48
    2-isopropoxyethanol 10.66
    2,2,2-trifluoroethanol 14.36
    methyl butyrate 9.91

    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