3H,7H,8H-Bis(1)benzopyrano(4,3-b:6',5'-e)pyran-7-one, 6,12-dihydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-

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  • Identifiers

    CAS number
    135023-19-7

    Molecular formula
    C26H24O7

    SMILES
    CC(=CC1C2=C(C3=CC(=C(C=C3O1)OC)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 42.92%
    Spicy 42.64%
    Sweet 35.53%
    Woody 31.25%
    Smoky 25.85%
    Powdery 24.22%
    Herbal 23.75%
    Dry 23.71%
    Odorless 23.09%
    Vanilla 22.52%

     

    Flavor
    Bitter 93.66%
    Bland 19.73%
    Cedarleaf 19.55%
    Parsley 19.5%
    Lovage 18.85%
    Ripe apricot 17.97%
    Red fruit 17.88%
    Sweet-like 17.78%
    Eugenol 17.34%
    Heather 17.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    9.55 (weak base)

    Molecular weight
    448.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1446°C

    Melting point expt.

    • 278 - 280 °C

    Flash point

    • 245.6 ˚C est.

  • Synonyms

    • 135023-19-7
    • 3H,7H,8H-Bis(1)benzopyrano(4,3-b:6',5'-e)pyran-7-one, 6,12-dihydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-
    • 3H,7H,8H-Bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one, 6,12-dihydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-
    • RefChem:282884
    • Cycloartomunin
    • CHEBI:178148
    • DTXSID701105933
    • LMPK12110916
    • 11,20-dihydroxy-19-methoxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17,19,21-octaen-13-one
    • 3H,7H,8H-Bis[1]benzopyrano[4,3-b:6a(2),5a(2)-e]pyran-7-one, 6,12-dihydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-
    • 6,12-Dihydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one
    • 6,12-Dihydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one, 9CI
    • 135023-19-7

  • Applications

    3H,7H,8H-Bis(1)benzopyrano(4,3-b:6',5'-e)pyran-7-one, 6,12-dihydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)- (CAS 135023-19-7) is a complex organic compound that can function as an intermediate building block in organic synthesis. In practical applications, it may be used as a starting point for fragrance chemistry and as a component in cosmetics and personal care formulations. It also has potential as a dye or pigment precursor for colorant systems used in coatings and inks, and can be evaluated as a functional additive or intermediate in polymer and plastic formulation. Additionally, it is commonly considered for pharmaceutical synthesis as an intermediate, with use depending on regional regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.18
    methanol 1.81
    isopropanol 0.9
    water 0.0
    ethyl acetate 7.14
    n-propanol 1.69
    acetone 8.71
    n-butanol 1.22
    acetonitrile 4.89
    DMF 34.72
    toluene 1.69
    isobutanol 1.27
    1,4-dioxane 12.93
    methyl acetate 11.45
    THF 26.46
    2-butanone 11.08
    n-pentanol 1.22
    sec-butanol 1.14
    n-hexane 0.04
    ethylene glycol 1.71
    NMP 80.6
    cyclohexane 0.07
    DMSO 37.07
    n-butyl acetate 6.67
    n-octanol 1.14
    chloroform 31.16
    n-propyl acetate 6.6
    acetic acid 24.04
    dichloromethane 22.27
    cyclohexanone 18.42
    propylene glycol 2.49
    isopropyl acetate 4.64
    DMAc 67.1
    2-ethoxyethanol 8.17
    isopentanol 1.26
    n-heptane 0.05
    ethyl formate 6.21
    1,2-dichloroethane 10.52
    n-hexanol 1.03
    2-methoxyethanol 13.92
    isobutyl acetate 5.04
    tetrachloromethane 1.07
    n-pentyl acetate 5.57
    transcutol 42.23
    n-heptanol 1.17
    ethylbenzene 0.78
    MIBK 3.89
    2-propoxyethanol 15.74
    tert-butanol 1.25
    MTBE 1.37
    2-butoxyethanol 9.24
    propionic acid 9.28
    o-xylene 1.1
    formic acid 8.2
    diethyl ether 1.34
    m-xylene 1.0
    p-xylene 1.41
    chlorobenzene 4.16
    dimethyl carbonate 15.48
    n-octane 0.03
    formamide 10.05
    cyclopentanone 33.61
    2-pentanone 5.8
    anisole 4.01
    cyclopentyl methyl ether 5.54
    gamma-butyrolactone 53.17
    1-methoxy-2-propanol 10.43
    pyridine 17.48
    3-pentanone 5.99
    furfural 39.3
    n-dodecane 0.05
    diethylene glycol 14.67
    diisopropyl ether 0.42
    tert-amyl alcohol 1.34
    acetylacetone 15.04
    n-hexadecane 0.06
    acetophenone 8.9
    methyl propionate 12.55
    isopentyl acetate 7.03
    trichloroethylene 49.16
    n-nonanol 1.34
    cyclohexanol 1.83
    benzyl alcohol 5.19
    2-ethylhexanol 1.09
    isooctanol 1.23
    dipropyl ether 1.91
    1,2-dichlorobenzene 5.13
    ethyl lactate 7.36
    propylene carbonate 21.41
    n-methylformamide 13.11
    2-pentanol 0.7
    n-pentane 0.03
    1-propoxy-2-propanol 10.59
    1-methoxy-2-propyl acetate 16.5
    2-(2-methoxypropoxy) propanol 16.02
    mesitylene 0.5
    ε-caprolactone 20.38
    p-cymene 0.96
    epichlorohydrin 52.0
    1,1,1-trichloroethane 8.1
    2-aminoethanol 2.6
    morpholine-4-carbaldehyde 60.82
    sulfolane 81.07
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 9.01
    n-hexyl acetate 5.89
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 16.39
    sec-butyl acetate 4.18
    tert-butyl acetate 5.06
    decalin 0.08
    glycerin 8.21
    diglyme 31.41
    acrylic acid 14.67
    isopropyl myristate 2.61
    n-butyric acid 8.06
    acetyl acetate 9.35
    di(2-ethylhexyl) phthalate 5.78
    ethyl propionate 6.27
    nitromethane 54.9
    1,2-diethoxyethane 7.19
    benzonitrile 7.08
    trioctyl phosphate 3.05
    1-bromopropane 2.31
    gamma-valerolactone 70.76
    n-decanol 0.97
    triethyl phosphate 5.29
    4-methyl-2-pentanol 0.64
    propionitrile 4.33
    vinylene carbonate 24.13
    1,1,2-trichlorotrifluoroethane 62.9
    DMS 15.12
    cumene 0.61
    2-octanol 0.71
    2-hexanone 5.53
    octyl acetate 3.63
    limonene 1.06
    1,2-dimethoxyethane 15.99
    ethyl orthosilicate 4.06
    tributyl phosphate 4.15
    diacetone alcohol 9.36
    N,N-dimethylaniline 3.3
    acrylonitrile 9.67
    aniline 4.41
    1,3-propanediol 3.47
    bromobenzene 4.12
    dibromomethane 8.09
    1,1,2,2-tetrachloroethane 33.52
    2-methyl-cyclohexyl acetate 6.78
    tetrabutyl urea 6.6
    diisobutyl methanol 0.87
    2-phenylethanol 5.62
    styrene 1.11
    dioctyl adipate 6.56
    dimethyl sulfate 34.39
    ethyl butyrate 5.88
    methyl lactate 14.98
    butyl lactate 7.96
    diethyl carbonate 5.39
    propanediol butyl ether 8.7
    triethyl orthoformate 5.81
    p-tert-butyltoluene 0.84
    methyl 4-tert-butylbenzoate 10.68
    morpholine 16.72
    tert-butylamine 0.4
    n-dodecanol 0.73
    dimethoxymethane 17.24
    ethylene carbonate 15.98
    cyrene 21.96
    2-ethoxyethyl acetate 14.09
    2-ethylhexyl acetate 5.42
    1,2,4-trichlorobenzene 11.32
    4-methylpyridine 12.52
    dibutyl ether 1.61
    2,6-dimethyl-4-heptanol 0.87
    DEF 12.01
    dimethyl isosorbide 31.56
    tetrachloroethylene 13.58
    eugenol 11.15
    triacetin 16.77
    span 80 10.4
    1,4-butanediol 1.56
    1,1-dichloroethane 7.42
    2-methyl-1-pentanol 1.39
    methyl formate 14.1
    2-methyl-1-butanol 1.41
    n-decane 0.08
    butyronitrile 2.76
    3,7-dimethyl-1-octanol 1.5
    1-chlorooctane 0.57
    1-chlorotetradecane 0.29
    n-nonane 0.06
    undecane 0.06
    tert-butylcyclohexane 0.07
    cyclooctane 0.03
    cyclopentanol 3.39
    tetrahydropyran 5.21
    tert-amyl methyl ether 1.55
    2,5,8-trioxanonane 23.52
    1-hexene 0.25
    2-isopropoxyethanol 5.96
    2,2,2-trifluoroethanol 8.97
    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