Artomunoxanthentrione

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  • Identifiers

    CAS number
    139921-73-6

    Molecular formula
    C26H20O7

    SMILES
    CC(=C)C1=C2C(=C3C(=C1)C(=O)C4=C(O3)C5=C(C=C4O)OC(C=C5)(C)C)C(=O)C=C(C2=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 41.45%
    Fruity 37.97%
    Woody 31.85%
    Spicy 29.74%
    Dry 29.51%
    Phenolic 29.5%
    Powdery 27.9%
    Mint 26.95%
    Tobacco 25.54%
    Odorless 23.83%

     

    Flavor
    Bitter 92.8%
    Odorless 20.52%
    Lovage 19.15%
    Cedarleaf 19.05%
    Parsley 18.57%
    Ripe apricot 18.01%
    Bland 17.94%
    Nitrile 17.9%
    Red fruit 17.86%
    Sweet-like 17.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    6.52 (neutral)

    Molecular weight
    444.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1389°C

    Melting point expt.

    • 230 - 232 °C

    Flash point

    • 257.8 ˚C est.

  • Synonyms

    • Artomunoxanthentrione
    • 6-Hydroxy-11-methoxy-3,3-dimethyl-9-(1-methylethenyl)-3H,7H-benzo[c]pyrano[3,2-h]xanthene-7,10,13-trione
    • 11-hydroxy-19-methoxy-7,7-dimethyl-16-prop-1-en-2-yl-2,8-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(22),3(12),4(9),5,10,14,16,19-octaene-13,18,21-trione
    • 11-hydroxy-19-methoxy-7,7-dimethyl-16-prop-1-en-2-yl-2,8-dioxapentacyclo(12.8.0.03,12.04,9.017,22)docosa-1(22),3(12),4(9),5,10,14,16,19-octaene-13,18,21-trione
    • 6-Hydroxy-11-methoxy-3,3-dimethyl-9-(1-methylethenyl)-3H,7H-benzo(c)pyrano(3,2-H)xanthene-7,10,13-trione
    • RefChem:114358
    • CHEBI:185522
    • DTXSID801111159
    • LMPK12111528
    • 139921-73-6
    • 139921-73-6

  • Applications

    Artomunoxanthentrione (CAS 139921-73-6) is used as an intermediate in organic synthesis; may serve as a solvent or co-solvent in industrial formulations; evaluated as a processing aid and stabilizer for plastics and polymer systems; can function as a chelating/complexing agent in coatings and cleaning formulations; and may be considered as a fragrance-related material (odorant) or a fixative in perfumery.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.5
    methanol 0.59
    isopropanol 0.35
    water 0.0
    ethyl acetate 2.72
    n-propanol 0.66
    acetone 3.73
    n-butanol 0.45
    acetonitrile 2.52
    DMF 15.26
    toluene 1.13
    isobutanol 0.47
    1,4-dioxane 7.73
    methyl acetate 5.41
    THF 17.23
    2-butanone 4.77
    n-pentanol 0.47
    sec-butanol 0.39
    n-hexane 0.02
    ethylene glycol 0.65
    NMP 43.96
    cyclohexane 0.04
    DMSO 16.62
    n-butyl acetate 2.68
    n-octanol 0.35
    chloroform 10.11
    n-propyl acetate 3.01
    acetic acid 6.19
    dichloromethane 8.69
    cyclohexanone 9.58
    propylene glycol 0.7
    isopropyl acetate 1.82
    DMAc 29.16
    2-ethoxyethanol 3.04
    isopentanol 0.46
    n-heptane 0.02
    ethyl formate 2.41
    1,2-dichloroethane 4.99
    n-hexanol 0.32
    2-methoxyethanol 5.3
    isobutyl acetate 2.29
    tetrachloromethane 0.44
    n-pentyl acetate 2.03
    transcutol 9.85
    n-heptanol 0.38
    ethylbenzene 0.52
    MIBK 1.52
    2-propoxyethanol 5.64
    tert-butanol 0.42
    MTBE 0.47
    2-butoxyethanol 3.34
    propionic acid 3.03
    o-xylene 0.64
    formic acid 2.41
    diethyl ether 0.59
    m-xylene 0.62
    p-xylene 0.96
    chlorobenzene 2.14
    dimethyl carbonate 6.49
    n-octane 0.01
    formamide 3.72
    cyclopentanone 19.32
    2-pentanone 2.32
    anisole 2.29
    cyclopentyl methyl ether 2.85
    gamma-butyrolactone 27.12
    1-methoxy-2-propanol 3.53
    pyridine 11.03
    3-pentanone 2.51
    furfural 19.05
    n-dodecane 0.02
    diethylene glycol 5.64
    diisopropyl ether 0.16
    tert-amyl alcohol 0.46
    acetylacetone 6.18
    n-hexadecane 0.03
    acetophenone 4.8
    methyl propionate 4.9
    isopentyl acetate 2.84
    trichloroethylene 18.89
    n-nonanol 0.43
    cyclohexanol 0.8
    benzyl alcohol 2.4
    2-ethylhexanol 0.37
    isooctanol 0.41
    dipropyl ether 0.74
    1,2-dichlorobenzene 2.5
    ethyl lactate 2.89
    propylene carbonate 9.56
    n-methylformamide 5.38
    2-pentanol 0.24
    n-pentane 0.01
    1-propoxy-2-propanol 3.42
    1-methoxy-2-propyl acetate 6.7
    2-(2-methoxypropoxy) propanol 5.74
    mesitylene 0.32
    ε-caprolactone 10.1
    p-cymene 0.44
    epichlorohydrin 25.55
    1,1,1-trichloroethane 3.37
    2-aminoethanol 0.91
    morpholine-4-carbaldehyde 27.39
    sulfolane 42.15
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 5.27
    n-hexyl acetate 2.01
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.62
    sec-butyl acetate 1.83
    tert-butyl acetate 2.2
    decalin 0.05
    glycerin 2.66
    diglyme 11.39
    acrylic acid 4.97
    isopropyl myristate 1.07
    n-butyric acid 2.58
    acetyl acetate 3.42
    di(2-ethylhexyl) phthalate 2.46
    ethyl propionate 3.07
    nitromethane 18.24
    1,2-diethoxyethane 2.46
    benzonitrile 3.97
    trioctyl phosphate 1.27
    1-bromopropane 1.15
    gamma-valerolactone 31.97
    n-decanol 0.33
    triethyl phosphate 2.43
    4-methyl-2-pentanol 0.22
    propionitrile 2.18
    vinylene carbonate 9.88
    1,1,2-trichlorotrifluoroethane 23.87
    DMS 6.43
    cumene 0.36
    2-octanol 0.25
    2-hexanone 2.73
    octyl acetate 1.39
    limonene 0.44
    1,2-dimethoxyethane 7.89
    ethyl orthosilicate 1.79
    tributyl phosphate 1.72
    diacetone alcohol 3.64
    N,N-dimethylaniline 1.77
    acrylonitrile 4.92
    aniline 2.23
    1,3-propanediol 1.3
    bromobenzene 2.23
    dibromomethane 3.43
    1,1,2,2-tetrachloroethane 12.75
    2-methyl-cyclohexyl acetate 3.18
    tetrabutyl urea 2.98
    diisobutyl methanol 0.3
    2-phenylethanol 2.61
    styrene 0.69
    dioctyl adipate 2.83
    dimethyl sulfate 14.88
    ethyl butyrate 2.55
    methyl lactate 5.09
    butyl lactate 2.69
    diethyl carbonate 2.36
    propanediol butyl ether 2.47
    triethyl orthoformate 2.43
    p-tert-butyltoluene 0.36
    methyl 4-tert-butylbenzoate 4.68
    morpholine 8.88
    tert-butylamine 0.14
    n-dodecanol 0.26
    dimethoxymethane 7.34
    ethylene carbonate 6.74
    cyrene 10.89
    2-ethoxyethyl acetate 5.13
    2-ethylhexyl acetate 2.26
    1,2,4-trichlorobenzene 5.19
    4-methylpyridine 7.26
    dibutyl ether 0.6
    2,6-dimethyl-4-heptanol 0.3
    DEF 5.1
    dimethyl isosorbide 14.86
    tetrachloroethylene 5.24
    eugenol 4.99
    triacetin 5.9
    span 80 3.72
    1,4-butanediol 0.63
    1,1-dichloroethane 2.87
    2-methyl-1-pentanol 0.55
    methyl formate 5.75
    2-methyl-1-butanol 0.51
    n-decane 0.03
    butyronitrile 1.32
    3,7-dimethyl-1-octanol 0.46
    1-chlorooctane 0.2
    1-chlorotetradecane 0.12
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 1.61
    tetrahydropyran 2.89
    tert-amyl methyl ether 0.56
    2,5,8-trioxanonane 9.12
    1-hexene 0.15
    2-isopropoxyethanol 2.2
    2,2,2-trifluoroethanol 2.87
    methyl butyrate 3.98

    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