5H,7H,11H-Benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one, 5a,6-dihydro-1,8-dihydroxy-3-methoxy-5,5,11,11-tetramethyl-

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  • Identifiers

    CAS number
    135023-20-0

    Molecular formula
    C26H24O7

    SMILES
    CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)CC5C6=C4C(=CC(=C6OC5(C)C)OC)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 42.89%
    Woody 34.85%
    Spicy 34.63%
    Sweet 30.81%
    Fruity 28.08%
    Powdery 27.57%
    Dry 27.1%
    Odorless 26.02%
    Musk 25.37%
    Balsamic 23.42%

     

    Flavor
    Bitter 94.76%
    Bland 20.98%
    Cedarleaf 19.81%
    Parsley 19.34%
    Ripe apricot 18.44%
    Red fruit 18.22%
    Sweet-like 18.21%
    Lovage 18.19%
    Very strong 17.53%
    Indole 17.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    8.33 (weak base)

    Molecular weight
    448.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1940°C

    Melting point expt.

    • 264 - 266 °C

    Flash point

    • 255.59 ˚C est.

  • Synonyms

    • 135023-20-0
    • 5H,7H,11H-Benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one, 5a,6-dihydro-1,8-dihydroxy-3-methoxy-5,5,11,11-tetramethyl-
    • 5H,7H,11H-Benzofuro(3,4-bc)pyrano(3,2-h)xanthen-7-one, 5a,6-dihydro-1,8-dihydroxy-3-methoxy-5,5,11,11-tetramethyl-
    • RefChem:305105
    • Cycloartomunoxanthone
    • CHEBI:172684
    • DTXSID301106822
    • LMPK12111517
    • 12,23-dihydroxy-21-methoxy-8,8,18,18-tetramethyl-3,9,19-trioxahexacyclo[15.6.1.02,15.04,13.05,10.020,24]tetracosa-1(24),2(15),4(13),5(10),6,11,20,22-octaen-14-one
    • 5a,6-Dihydro-1,8-dihydroxy-3-methoxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one
    • 135023-20-0

  • Applications

    Chemical name: 5H,7H,11H-Benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one, 5a,6-dihydro-1,8-dihydroxy-3-methoxy-5,5,11,11-tetramethyl-. CAS number: 135023-20-0. In industrial contexts, this compound is commonly considered an intermediate in the synthesis of xanthene-based dyes and pigments; it may serve as a dye or pigment precursor for coatings, inks, and plastics; it can function as a fluorescent dye or optical probe in analytical sensing and materials science; and it is evaluated as a specialty colorant in polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.9
    methanol 1.82
    isopropanol 0.53
    water 0.01
    ethyl acetate 4.27
    n-propanol 1.01
    acetone 9.52
    n-butanol 0.74
    acetonitrile 5.55
    DMF 35.17
    toluene 1.23
    isobutanol 0.81
    1,4-dioxane 13.37
    methyl acetate 8.14
    THF 21.28
    2-butanone 7.83
    n-pentanol 1.02
    sec-butanol 0.49
    n-hexane 0.03
    ethylene glycol 2.02
    NMP 61.64
    cyclohexane 0.05
    DMSO 42.61
    n-butyl acetate 5.1
    n-octanol 1.31
    chloroform 23.89
    n-propyl acetate 6.21
    acetic acid 14.15
    dichloromethane 19.19
    cyclohexanone 15.74
    propylene glycol 1.55
    isopropyl acetate 3.15
    DMAc 45.98
    2-ethoxyethanol 7.28
    isopentanol 0.78
    n-heptane 0.04
    ethyl formate 5.99
    1,2-dichloroethane 8.95
    n-hexanol 0.75
    2-methoxyethanol 11.37
    isobutyl acetate 5.08
    tetrachloromethane 1.02
    n-pentyl acetate 5.66
    transcutol 18.76
    n-heptanol 1.18
    ethylbenzene 0.72
    MIBK 2.99
    2-propoxyethanol 12.72
    tert-butanol 0.71
    MTBE 0.6
    2-butoxyethanol 8.62
    propionic acid 5.73
    o-xylene 0.74
    formic acid 8.31
    diethyl ether 0.7
    m-xylene 0.78
    p-xylene 1.49
    chlorobenzene 4.0
    dimethyl carbonate 11.08
    n-octane 0.03
    formamide 11.32
    cyclopentanone 31.28
    2-pentanone 4.04
    anisole 3.36
    cyclopentyl methyl ether 3.33
    gamma-butyrolactone 47.38
    1-methoxy-2-propanol 6.75
    pyridine 16.36
    3-pentanone 3.81
    furfural 39.2
    n-dodecane 0.05
    diethylene glycol 14.52
    diisopropyl ether 0.23
    tert-amyl alcohol 0.63
    acetylacetone 12.51
    n-hexadecane 0.06
    acetophenone 8.98
    methyl propionate 7.36
    isopentyl acetate 5.33
    trichloroethylene 38.36
    n-nonanol 1.5
    cyclohexanol 1.06
    benzyl alcohol 4.67
    2-ethylhexanol 0.83
    isooctanol 1.16
    dipropyl ether 1.2
    1,2-dichlorobenzene 4.83
    ethyl lactate 6.62
    propylene carbonate 17.95
    n-methylformamide 13.95
    2-pentanol 0.33
    n-pentane 0.02
    1-propoxy-2-propanol 7.32
    1-methoxy-2-propyl acetate 10.99
    2-(2-methoxypropoxy) propanol 10.57
    mesitylene 0.41
    ε-caprolactone 14.9
    p-cymene 0.83
    epichlorohydrin 41.89
    1,1,1-trichloroethane 6.28
    2-aminoethanol 2.15
    morpholine-4-carbaldehyde 49.58
    sulfolane 71.21
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 5.49
    n-hexyl acetate 5.62
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 12.05
    sec-butyl acetate 3.37
    tert-butyl acetate 3.49
    decalin 0.06
    glycerin 6.59
    diglyme 21.52
    acrylic acid 10.69
    isopropyl myristate 2.46
    n-butyric acid 5.02
    acetyl acetate 6.35
    di(2-ethylhexyl) phthalate 5.36
    ethyl propionate 5.0
    nitromethane 47.61
    1,2-diethoxyethane 4.95
    benzonitrile 8.81
    trioctyl phosphate 3.4
    1-bromopropane 1.57
    gamma-valerolactone 64.71
    n-decanol 1.08
    triethyl phosphate 4.07
    4-methyl-2-pentanol 0.4
    propionitrile 4.27
    vinylene carbonate 21.67
    1,1,2-trichlorotrifluoroethane 47.88
    DMS 11.2
    cumene 0.56
    2-octanol 0.72
    2-hexanone 5.52
    octyl acetate 3.53
    limonene 0.79
    1,2-dimethoxyethane 15.68
    ethyl orthosilicate 3.04
    tributyl phosphate 3.87
    diacetone alcohol 6.15
    N,N-dimethylaniline 2.48
    acrylonitrile 11.41
    aniline 2.75
    1,3-propanediol 2.85
    bromobenzene 3.91
    dibromomethane 6.95
    1,1,2,2-tetrachloroethane 24.23
    2-methyl-cyclohexyl acetate 6.12
    tetrabutyl urea 6.28
    diisobutyl methanol 0.62
    2-phenylethanol 5.29
    styrene 1.0
    dioctyl adipate 5.99
    dimethyl sulfate 25.73
    ethyl butyrate 4.43
    methyl lactate 9.88
    butyl lactate 7.17
    diethyl carbonate 4.13
    propanediol butyl ether 7.77
    triethyl orthoformate 4.23
    p-tert-butyltoluene 0.67
    methyl 4-tert-butylbenzoate 8.64
    morpholine 12.42
    tert-butylamine 0.21
    n-dodecanol 0.79
    dimethoxymethane 14.27
    ethylene carbonate 15.16
    cyrene 22.47
    2-ethoxyethyl acetate 11.85
    2-ethylhexyl acetate 4.28
    1,2,4-trichlorobenzene 8.97
    4-methylpyridine 9.7
    dibutyl ether 1.27
    2,6-dimethyl-4-heptanol 0.62
    DEF 7.41
    dimethyl isosorbide 25.61
    tetrachloroethylene 11.59
    eugenol 10.51
    triacetin 13.04
    span 80 8.46
    1,4-butanediol 1.83
    1,1-dichloroethane 4.99
    2-methyl-1-pentanol 1.0
    methyl formate 16.79
    2-methyl-1-butanol 0.72
    n-decane 0.08
    butyronitrile 2.53
    3,7-dimethyl-1-octanol 1.27
    1-chlorooctane 0.58
    1-chlorotetradecane 0.29
    n-nonane 0.06
    undecane 0.06
    tert-butylcyclohexane 0.05
    cyclooctane 0.02
    cyclopentanol 2.12
    tetrahydropyran 3.43
    tert-amyl methyl ether 0.61
    2,5,8-trioxanonane 16.88
    1-hexene 0.2
    2-isopropoxyethanol 5.12
    2,2,2-trifluoroethanol 8.73
    methyl butyrate 7.02

    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