6,7-Dihydro-5,9,14-trihydroxy-11-methoxy-3,3-dimethyl-6-(1-methylethenyl)-3H,8H-pyrano[3',2':4,5]benzo[1,2-c]xanthen-8-one

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  • Identifiers

    CAS number
    186824-61-3

    Molecular formula
    C26H24O7

    SMILES
    CC(=C)C1CC2=C(C3=C1C(=C4C(=C3O)C=CC(O4)(C)C)O)OC5=CC(=CC(=C5C2=O)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 42.38%
    Spicy 38.46%
    Woody 36.32%
    Odorless 31.16%
    Fruity 28.65%
    Dry 28.17%
    Sweet 24.31%
    Burnt 22.67%
    Smoky 22.55%
    Powdery 21.57%

     

    Flavor
    Bitter 93.84%
    Bland 21.07%
    Cedarleaf 20.13%
    Odorless 19.76%
    Parsley 19.35%
    Lovage 18.97%
    Sweet-like 18.41%
    Ripe apricot 18.08%
    Red fruit 17.93%
    Nitrile 17.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    9.1 (weak base)

    Molecular weight
    448.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2423°C

    Melting point expt.

    • 224 - 227 °C

    Flash point

    • 267.68 ˚C est.

  • Synonyms

    • 186824-61-3
    • 6,7-Dihydro-5,9,14-trihydroxy-11-methoxy-3,3-dimethyl-6-(1-methylethenyl)-3H,8H-pyrano(3',2':4,5)benzo(1,2-c)xanthen-8-one
    • 6,7-Dihydro-5,9,14-trihydroxy-11-methoxy-3,3-dimethyl-6-(1-methylethenyl)-3H,8H-pyrano[3',2':4,5]benzo[1,2-c]xanthen-8-one
    • RefChem:306148
    • Artonol E
    • DTXSID901104567
    • LMPK12111530
    • 6,7-Dihydro-5,9,14-trihydroxy-11-methoxy-3,3-dimethyl-6-(1-methylethenyl)-3H,8H-[1]benzopyrano[7,6-c]xanthen-8-one
    • 6,7-Dihydro-5,9,14-trihydroxy-11-methoxy-3,3-dimethyl-6-(1-methylethenyl)-3H,8H-pyrano[3a(2),2a(2):4,5]benzo[1,2-c]xanthen-8-one
    • 186824-61-3

  • Applications

    6,7-Dihydro-5,9,14-trihydroxy-11-methoxy-3,3-dimethyl-6-(1-methylethenyl)-3H,8H-pyrano[3',2':4,5]benzo[1,2-c]xanthen-8-one (CAS 186824-61-3) is a xanthene-derived dye commonly considered a specialty colorant and a synthesis intermediate; in industrial practice it may be used as a pigment component in inks and coatings, as a fluorophore or optical material in polymer formulations and electronics, and as a colorant component in cosmetic/personal-care products where regulatory clearance permits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.39
    methanol 3.29
    isopropanol 2.38
    water 0.0
    ethyl acetate 8.36
    n-propanol 3.49
    acetone 17.01
    n-butanol 2.67
    acetonitrile 5.62
    DMF 48.4
    toluene 2.38
    isobutanol 2.71
    1,4-dioxane 19.92
    methyl acetate 12.42
    THF 65.76
    2-butanone 16.21
    n-pentanol 2.39
    sec-butanol 2.34
    n-hexane 0.06
    ethylene glycol 2.66
    NMP 76.44
    cyclohexane 0.11
    DMSO 83.13
    n-butyl acetate 7.28
    n-octanol 1.65
    chloroform 20.8
    n-propyl acetate 7.57
    acetic acid 22.49
    dichloromethane 16.09
    cyclohexanone 28.66
    propylene glycol 3.23
    isopropyl acetate 5.98
    DMAc 66.55
    2-ethoxyethanol 11.35
    isopentanol 2.67
    n-heptane 0.06
    ethyl formate 7.31
    1,2-dichloroethane 11.65
    n-hexanol 1.96
    2-methoxyethanol 21.76
    isobutyl acetate 5.64
    tetrachloromethane 1.21
    n-pentyl acetate 6.61
    transcutol 24.52
    n-heptanol 1.96
    ethylbenzene 1.08
    MIBK 6.0
    2-propoxyethanol 20.1
    tert-butanol 3.35
    MTBE 2.08
    2-butoxyethanol 11.25
    propionic acid 8.68
    o-xylene 1.29
    formic acid 7.78
    diethyl ether 2.23
    m-xylene 1.34
    p-xylene 1.77
    chlorobenzene 4.21
    dimethyl carbonate 14.43
    n-octane 0.04
    formamide 10.38
    cyclopentanone 56.93
    2-pentanone 9.6
    anisole 4.66
    cyclopentyl methyl ether 8.07
    gamma-butyrolactone 63.24
    1-methoxy-2-propanol 16.88
    pyridine 21.03
    3-pentanone 8.26
    furfural 37.32
    n-dodecane 0.07
    diethylene glycol 18.7
    diisopropyl ether 0.6
    tert-amyl alcohol 2.59
    acetylacetone 19.07
    n-hexadecane 0.08
    acetophenone 9.08
    methyl propionate 12.79
    isopentyl acetate 7.85
    trichloroethylene 36.19
    n-nonanol 1.88
    cyclohexanol 3.52
    benzyl alcohol 6.39
    2-ethylhexanol 1.65
    isooctanol 1.86
    dipropyl ether 2.3
    1,2-dichlorobenzene 4.43
    ethyl lactate 7.22
    propylene carbonate 20.67
    n-methylformamide 16.09
    2-pentanol 1.37
    n-pentane 0.05
    1-propoxy-2-propanol 11.91
    1-methoxy-2-propyl acetate 15.95
    2-(2-methoxypropoxy) propanol 13.31
    mesitylene 0.67
    ε-caprolactone 25.67
    p-cymene 1.06
    epichlorohydrin 57.26
    1,1,1-trichloroethane 8.53
    2-aminoethanol 3.89
    morpholine-4-carbaldehyde 53.36
    sulfolane 103.58
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 15.23
    n-hexyl acetate 6.36
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 16.02
    sec-butyl acetate 4.67
    tert-butyl acetate 6.81
    decalin 0.11
    glycerin 10.57
    diglyme 26.35
    acrylic acid 12.9
    isopropyl myristate 3.0
    n-butyric acid 10.13
    acetyl acetate 8.9
    di(2-ethylhexyl) phthalate 5.78
    ethyl propionate 7.16
    nitromethane 47.62
    1,2-diethoxyethane 6.97
    benzonitrile 7.97
    trioctyl phosphate 3.97
    1-bromopropane 3.01
    gamma-valerolactone 82.5
    n-decanol 1.41
    triethyl phosphate 5.14
    4-methyl-2-pentanol 1.22
    propionitrile 6.07
    vinylene carbonate 20.53
    1,1,2-trichlorotrifluoroethane 52.98
    DMS 12.32
    cumene 0.78
    2-octanol 1.25
    2-hexanone 7.93
    octyl acetate 4.09
    limonene 1.2
    1,2-dimethoxyethane 22.7
    ethyl orthosilicate 4.13
    tributyl phosphate 4.43
    diacetone alcohol 13.78
    N,N-dimethylaniline 3.36
    acrylonitrile 11.44
    aniline 5.24
    1,3-propanediol 6.74
    bromobenzene 3.75
    dibromomethane 7.37
    1,1,2,2-tetrachloroethane 25.84
    2-methyl-cyclohexyl acetate 6.98
    tetrabutyl urea 7.16
    diisobutyl methanol 1.23
    2-phenylethanol 7.17
    styrene 1.37
    dioctyl adipate 6.44
    dimethyl sulfate 32.1
    ethyl butyrate 5.94
    methyl lactate 14.67
    butyl lactate 8.19
    diethyl carbonate 5.04
    propanediol butyl ether 9.48
    triethyl orthoformate 5.61
    p-tert-butyltoluene 0.91
    methyl 4-tert-butylbenzoate 9.73
    morpholine 24.87
    tert-butylamine 0.94
    n-dodecanol 1.06
    dimethoxymethane 25.2
    ethylene carbonate 15.93
    cyrene 21.19
    2-ethoxyethyl acetate 12.8
    2-ethylhexyl acetate 5.89
    1,2,4-trichlorobenzene 8.02
    4-methylpyridine 13.84
    dibutyl ether 1.87
    2,6-dimethyl-4-heptanol 1.23
    DEF 14.31
    dimethyl isosorbide 27.91
    tetrachloroethylene 11.99
    eugenol 10.62
    triacetin 11.93
    span 80 10.23
    1,4-butanediol 2.79
    1,1-dichloroethane 7.53
    2-methyl-1-pentanol 2.41
    methyl formate 16.09
    2-methyl-1-butanol 2.55
    n-decane 0.09
    butyronitrile 4.56
    3,7-dimethyl-1-octanol 1.88
    1-chlorooctane 0.69
    1-chlorotetradecane 0.38
    n-nonane 0.07
    undecane 0.08
    tert-butylcyclohexane 0.08
    cyclooctane 0.04
    cyclopentanol 6.68
    tetrahydropyran 9.83
    tert-amyl methyl ether 2.04
    2,5,8-trioxanonane 20.49
    1-hexene 0.41
    2-isopropoxyethanol 7.99
    2,2,2-trifluoroethanol 8.4
    methyl butyrate 9.89

    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