9a,13a-Epoxy-3H,7H-benzo[c]pyrano[3,2-h]xanthene-7,10,13-trione, 8,9-dihydro-6-hydroxy-11-methoxy-3,3-dimethyl-9-(1-methylethenyl)-, (9I+/-,9aI(2),13aI(2))-

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  • Identifiers

    CAS number
    143522-33-2

    Molecular formula
    C26H22O8

    SMILES
    CC(=C)C1CC2=C(C34C1(O3)C(=O)C(=CC4=O)OC)OC5=C(C2=O)C(=CC6=C5C=CC(O6)(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 32.32%
    Sweet 31.75%
    Mint 29.24%
    Odorless 28.5%
    Spicy 26.45%
    Woody 25.39%
    Caramellic 22.17%
    Dry 21.38%
    Tobacco 20.76%
    Burnt 20.36%

     

    Flavor
    Bitter 94.19%
    Cedarleaf 19.58%
    Bland 19.18%
    Lovage 18.84%
    Parsley 18.46%
    Sweet-like 18.26%
    Ripe apricot 17.92%
    Odorless 17.86%
    Red fruit 17.62%
    Basil 17.46%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.55 (neutral)

    Molecular weight
    462.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1598°C

    Flash point

    • 213.54 ˚C est.

  • Synonyms

    • DTXSID201100552
    • 143522-33-2
    • 9a,13a-Epoxy-3H,7H-benzo[c]pyrano[3,2-h]xanthene-7,10,13-trione, 8,9-dihydro-6-hydroxy-11-methoxy-3,3-dimethyl-9-(1-methylethenyl)-, (9I+/-,9aI(2),13aI(2))-
    • 143522-33-2

  • Applications

    The compound, 9a,13a-Epoxy-3H,7H-benzo[c]pyrano[3,2-h]xanthene-7,10,13-trione, 8,9-dihydro-6-hydroxy-11-methoxy-3,3-dimethyl-9-(1-methylethenyl)-, (9I+/-,9aI(2),13aI(2))- CAS 143522-33-2, is a polycyclic xanthene derivative that is primarily encountered as a specialty dye/pigment precursor and chemical intermediate. In industry, it is commonly used as a colorant scaffold for coatings, inks, and molded plastics, contributing specific hues through its extended chromophore. It also serves as an organic synthesis intermediate for building more complex dyes and functional materials. In analytical and materials contexts, the compound may act as a fluorescent dye or probe, taking advantage of the xanthene core for light emission. Depending on formulation, it may be explored as an optical or photosensitive additive in polymeric or electronic applications, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.27
    methanol 0.45
    isopropanol 0.22
    water 0.0
    ethyl acetate 2.81
    n-propanol 0.37
    acetone 3.85
    n-butanol 0.33
    acetonitrile 3.4
    DMF 6.93
    toluene 1.04
    isobutanol 0.31
    1,4-dioxane 5.4
    methyl acetate 4.4
    THF 8.75
    2-butanone 4.11
    n-pentanol 0.34
    sec-butanol 0.28
    n-hexane 0.02
    ethylene glycol 0.43
    NMP 25.83
    cyclohexane 0.05
    DMSO 10.56
    n-butyl acetate 1.99
    n-octanol 0.21
    chloroform 8.42
    n-propyl acetate 2.33
    acetic acid 5.57
    dichloromethane 7.6
    cyclohexanone 8.09
    propylene glycol 0.39
    isopropyl acetate 1.76
    DMAc 15.22
    2-ethoxyethanol 1.97
    isopentanol 0.37
    n-heptane 0.02
    ethyl formate 1.99
    1,2-dichloroethane 3.95
    n-hexanol 0.28
    2-methoxyethanol 2.96
    isobutyl acetate 1.67
    tetrachloromethane 0.51
    n-pentyl acetate 1.33
    transcutol 4.05
    n-heptanol 0.25
    ethylbenzene 0.46
    MIBK 1.53
    2-propoxyethanol 3.54
    tert-butanol 0.35
    MTBE 0.46
    2-butoxyethanol 2.03
    propionic acid 2.27
    o-xylene 0.59
    formic acid 2.17
    diethyl ether 0.53
    m-xylene 0.54
    p-xylene 0.82
    chlorobenzene 1.99
    dimethyl carbonate 4.1
    n-octane 0.01
    formamide 3.1
    cyclopentanone 13.22
    2-pentanone 2.19
    anisole 1.74
    cyclopentyl methyl ether 1.8
    gamma-butyrolactone 17.04
    1-methoxy-2-propanol 2.0
    pyridine 8.33
    3-pentanone 2.42
    furfural 13.6
    n-dodecane 0.01
    diethylene glycol 3.51
    diisopropyl ether 0.16
    tert-amyl alcohol 0.39
    acetylacetone 6.06
    n-hexadecane 0.02
    acetophenone 3.72
    methyl propionate 3.45
    isopentyl acetate 2.11
    trichloroethylene 15.42
    n-nonanol 0.27
    cyclohexanol 0.62
    benzyl alcohol 1.57
    2-ethylhexanol 0.3
    isooctanol 0.26
    dipropyl ether 0.49
    1,2-dichlorobenzene 2.37
    ethyl lactate 2.08
    propylene carbonate 6.72
    n-methylformamide 3.17
    2-pentanol 0.19
    n-pentane 0.01
    1-propoxy-2-propanol 2.1
    1-methoxy-2-propyl acetate 4.44
    2-(2-methoxypropoxy) propanol 3.39
    mesitylene 0.28
    ε-caprolactone 7.29
    p-cymene 0.35
    epichlorohydrin 15.2
    1,1,1-trichloroethane 3.75
    2-aminoethanol 0.54
    morpholine-4-carbaldehyde 15.51
    sulfolane 27.32
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.43
    n-hexyl acetate 1.31
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 3.11
    sec-butyl acetate 1.52
    tert-butyl acetate 1.94
    decalin 0.05
    glycerin 1.6
    diglyme 6.03
    acrylic acid 4.06
    isopropyl myristate 0.7
    n-butyric acid 1.99
    acetyl acetate 3.98
    di(2-ethylhexyl) phthalate 1.75
    ethyl propionate 2.4
    nitromethane 17.56
    1,2-diethoxyethane 1.39
    benzonitrile 3.27
    trioctyl phosphate 0.84
    1-bromopropane 0.86
    gamma-valerolactone 22.24
    n-decanol 0.21
    triethyl phosphate 1.77
    4-methyl-2-pentanol 0.19
    propionitrile 2.17
    vinylene carbonate 7.19
    1,1,2-trichlorotrifluoroethane 16.48
    DMS 4.0
    cumene 0.31
    2-octanol 0.15
    2-hexanone 2.26
    octyl acetate 0.92
    limonene 0.39
    1,2-dimethoxyethane 4.54
    ethyl orthosilicate 1.29
    tributyl phosphate 1.11
    diacetone alcohol 3.11
    N,N-dimethylaniline 1.18
    acrylonitrile 4.77
    aniline 1.55
    1,3-propanediol 0.81
    bromobenzene 2.24
    dibromomethane 3.14
    1,1,2,2-tetrachloroethane 8.99
    2-methyl-cyclohexyl acetate 2.56
    tetrabutyl urea 1.82
    diisobutyl methanol 0.24
    2-phenylethanol 2.02
    styrene 0.59
    dioctyl adipate 1.88
    dimethyl sulfate 9.54
    ethyl butyrate 1.89
    methyl lactate 3.37
    butyl lactate 1.7
    diethyl carbonate 1.82
    propanediol butyl ether 1.38
    triethyl orthoformate 1.67
    p-tert-butyltoluene 0.29
    methyl 4-tert-butylbenzoate 2.85
    morpholine 5.13
    tert-butylamine 0.13
    n-dodecanol 0.16
    dimethoxymethane 3.95
    ethylene carbonate 5.31
    cyrene 7.75
    2-ethoxyethyl acetate 3.29
    2-ethylhexyl acetate 1.73
    1,2,4-trichlorobenzene 4.58
    4-methylpyridine 4.78
    dibutyl ether 0.33
    2,6-dimethyl-4-heptanol 0.24
    DEF 3.42
    dimethyl isosorbide 8.77
    tetrachloroethylene 4.62
    eugenol 3.11
    triacetin 3.87
    span 80 2.31
    1,4-butanediol 0.43
    1,1-dichloroethane 2.57
    2-methyl-1-pentanol 0.41
    methyl formate 3.49
    2-methyl-1-butanol 0.37
    n-decane 0.02
    butyronitrile 1.34
    3,7-dimethyl-1-octanol 0.28
    1-chlorooctane 0.13
    1-chlorotetradecane 0.08
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.03
    cyclooctane 0.02
    cyclopentanol 1.02
    tetrahydropyran 2.11
    tert-amyl methyl ether 0.49
    2,5,8-trioxanonane 5.14
    1-hexene 0.11
    2-isopropoxyethanol 1.47
    2,2,2-trifluoroethanol 2.85
    methyl butyrate 2.86

    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