6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-pyrano(2,3-c)pyrano(2',3':4,5)benzo(1,2-h)xanthene-7,10,15(9H,12H)-trione

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  • Identifiers

    CAS number
    186824-60-2

    Molecular formula
    C30H26O7

    SMILES
    CC(=C)C1CC2=C(C3=C1C(=O)C4=C(C3=O)C=CC(O4)(C)C)OC5=C(C2=O)C(=CC6=C5C=CC(O6)(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 40.09%
    Mint 35.76%
    Fruity 35.43%
    Woody 33.01%
    Spicy 31.94%
    Herbal 28.59%
    Tobacco 28.5%
    Phenolic 25.97%
    Dry 23.77%
    Powdery 22.7%

     

    Flavor
    Bitter 91.29%
    Lovage 19.09%
    Cedarleaf 19.01%
    Parsley 18.04%
    Ripe apricot 17.94%
    Red fruit 17.79%
    Basil 17.77%
    Nitrile 17.41%
    Sweet-like 17.1%
    Heather 17.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    6.88 (neutral)

    Molecular weight
    498.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1257°C

    Melting point expt.

    • 130 °C

    Flash point

    • 265.2 ˚C est.

  • Synonyms

    • 186824-60-2
    • 6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-pyrano(2,3-c)pyrano(2',3':4,5)benzo(1,2-h)xanthene-7,10,15(9H,12H)-trione
    • 6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-pyrano[2,3-c]pyrano[2',3':4,5]benzo[1,2-h]xanthene-7,10,15(9H,12H)-trione
    • RefChem:308551
    • Artonol D
    • CHEBI:187795
    • DTXSID801101891
    • LMPK12111510
    • 17-hydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),4(9),5,16(25),17,19(24),22-octaene-3,10,15-trione
    • 6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthene-7,10,15(9H,12H)-trione
    • 6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-pyrano[2,3-c]pyrano[2a(2),3a(2):4,5]benzo[1,2-h]xanthene-7,10,15(9H,12H)-trione
    • 186824-60-2

  • Applications

    CAS 186824-60-2, 6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-pyrano(2,3-c)pyrano(2',3':4,5)benzo(1,2-h)xanthene-7,10,15(9H,12H)-trione is primarily used as a pigment/dye intermediate in coatings, inks, and plastics, where it provides chromophore properties for color development. It may also serve as a chromophore or precursor for organic electronic and optoelectronic materials, enabling functionality in specialized devices. In research and development contexts, it can be used as a fluorescent chromophore for laboratory studies. Additionally, it is commonly evaluated as an intermediate in the synthesis of other specialty dyes and pigments.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.81
    methanol 4.61
    isopropanol 2.6
    water 0.01
    ethyl acetate 12.69
    n-propanol 4.45
    acetone 20.65
    n-butanol 3.23
    acetonitrile 11.53
    DMF 66.69
    toluene 6.68
    isobutanol 3.08
    1,4-dioxane 28.34
    methyl acetate 21.44
    THF 70.11
    2-butanone 21.63
    n-pentanol 3.13
    sec-butanol 2.8
    n-hexane 0.14
    ethylene glycol 2.36
    NMP 127.77
    cyclohexane 0.28
    DMSO 55.28
    n-butyl acetate 10.17
    n-octanol 1.67
    chloroform 65.13
    n-propyl acetate 11.52
    acetic acid 34.04
    dichloromethane 45.48
    cyclohexanone 35.77
    propylene glycol 3.2
    isopropyl acetate 8.43
    DMAc 93.14
    2-ethoxyethanol 12.63
    isopentanol 2.85
    n-heptane 0.11
    ethyl formate 11.74
    1,2-dichloroethane 24.01
    n-hexanol 2.22
    2-methoxyethanol 20.99
    isobutyl acetate 8.37
    tetrachloromethane 3.46
    n-pentyl acetate 7.8
    transcutol 29.95
    n-heptanol 1.88
    ethylbenzene 2.64
    MIBK 7.58
    2-propoxyethanol 21.39
    tert-butanol 2.75
    MTBE 2.81
    2-butoxyethanol 11.43
    propionic acid 14.91
    o-xylene 3.17
    formic acid 10.64
    diethyl ether 3.83
    m-xylene 3.36
    p-xylene 4.29
    chlorobenzene 11.82
    dimethyl carbonate 22.83
    n-octane 0.07
    formamide 14.88
    cyclopentanone 66.93
    2-pentanone 12.69
    anisole 8.48
    cyclopentyl methyl ether 13.98
    gamma-butyrolactone 86.09
    1-methoxy-2-propanol 15.14
    pyridine 39.05
    3-pentanone 11.79
    furfural 55.7
    n-dodecane 0.09
    diethylene glycol 16.13
    diisopropyl ether 0.91
    tert-amyl alcohol 2.73
    acetylacetone 22.94
    n-hexadecane 0.11
    acetophenone 15.16
    methyl propionate 20.79
    isopentyl acetate 9.92
    trichloroethylene 82.45
    n-nonanol 1.88
    cyclohexanol 4.48
    benzyl alcohol 10.02
    2-ethylhexanol 1.81
    isooctanol 1.85
    dipropyl ether 3.15
    1,2-dichlorobenzene 11.74
    ethyl lactate 9.81
    propylene carbonate 34.9
    n-methylformamide 25.26
    2-pentanol 1.75
    n-pentane 0.12
    1-propoxy-2-propanol 12.75
    1-methoxy-2-propyl acetate 19.51
    2-(2-methoxypropoxy) propanol 15.92
    mesitylene 1.54
    ε-caprolactone 35.59
    p-cymene 1.7
    epichlorohydrin 88.7
    1,1,1-trichloroethane 19.65
    2-aminoethanol 4.15
    morpholine-4-carbaldehyde 77.67
    sulfolane 117.57
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 23.48
    n-hexyl acetate 7.73
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 16.88
    sec-butyl acetate 6.9
    tert-butyl acetate 8.04
    decalin 0.25
    glycerin 8.61
    diglyme 29.68
    acrylic acid 20.84
    isopropyl myristate 3.62
    n-butyric acid 14.14
    acetyl acetate 12.46
    di(2-ethylhexyl) phthalate 7.19
    ethyl propionate 10.93
    nitromethane 68.29
    1,2-diethoxyethane 8.29
    benzonitrile 14.57
    trioctyl phosphate 4.09
    1-bromopropane 7.26
    gamma-valerolactone 99.4
    n-decanol 1.42
    triethyl phosphate 6.81
    4-methyl-2-pentanol 1.32
    propionitrile 10.14
    vinylene carbonate 35.9
    1,1,2-trichlorotrifluoroethane 69.74
    DMS 16.86
    cumene 1.65
    2-octanol 1.21
    2-hexanone 11.11
    octyl acetate 4.95
    limonene 1.95
    1,2-dimethoxyethane 25.55
    ethyl orthosilicate 5.42
    tributyl phosphate 5.39
    diacetone alcohol 13.66
    N,N-dimethylaniline 6.47
    acrylonitrile 19.38
    aniline 10.56
    1,3-propanediol 6.2
    bromobenzene 12.02
    dibromomethane 21.73
    1,1,2,2-tetrachloroethane 56.12
    2-methyl-cyclohexyl acetate 10.01
    tetrabutyl urea 8.98
    diisobutyl methanol 1.19
    2-phenylethanol 10.09
    styrene 3.54
    dioctyl adipate 8.55
    dimethyl sulfate 44.74
    ethyl butyrate 8.76
    methyl lactate 17.9
    butyl lactate 9.13
    diethyl carbonate 7.02
    propanediol butyl ether 8.62
    triethyl orthoformate 7.68
    p-tert-butyltoluene 1.43
    methyl 4-tert-butylbenzoate 13.22
    morpholine 34.04
    tert-butylamine 1.02
    n-dodecanol 1.07
    dimethoxymethane 32.56
    ethylene carbonate 26.64
    cyrene 29.52
    2-ethoxyethyl acetate 15.88
    2-ethylhexyl acetate 7.88
    1,2,4-trichlorobenzene 21.0
    4-methylpyridine 29.33
    dibutyl ether 2.26
    2,6-dimethyl-4-heptanol 1.19
    DEF 21.12
    dimethyl isosorbide 36.74
    tetrachloroethylene 26.02
    eugenol 13.29
    triacetin 16.53
    span 80 11.23
    1,4-butanediol 3.02
    1,1-dichloroethane 19.02
    2-methyl-1-pentanol 2.89
    methyl formate 24.8
    2-methyl-1-butanol 3.01
    n-decane 0.13
    butyronitrile 7.79
    3,7-dimethyl-1-octanol 1.91
    1-chlorooctane 0.94
    1-chlorotetradecane 0.51
    n-nonane 0.1
    undecane 0.11
    tert-butylcyclohexane 0.17
    cyclooctane 0.1
    cyclopentanol 9.09
    tetrahydropyran 14.89
    tert-amyl methyl ether 2.84
    2,5,8-trioxanonane 23.13
    1-hexene 0.94
    2-isopropoxyethanol 9.01
    2,2,2-trifluoroethanol 13.11
    methyl butyrate 14.55

    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