Artobiloxanthone

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  • Identifiers

    CAS number
    121748-25-2

    Molecular formula
    C25H22O7

    SMILES
    CC(=C)[C@H]1CC2=C(C3=C1C(=C(C=C3O)O)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 44.76%
    Odorless 41.43%
    Spicy 34.39%
    Woody 29.77%
    Dry 25.24%
    Burnt 24.82%
    Smoky 22.46%
    Fruity 20.82%
    Medicinal 20.06%
    Balsamic 19.5%

     

    Flavor
    Bitter 94.99%
    Odorless 21.24%
    Bland 20.52%
    Cedarleaf 20.3%
    Lovage 19.11%
    Parsley 19.09%
    Sweet-like 18.85%
    Nitrile 18.19%
    Ripe apricot 18.15%
    Red fruit 18.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    9.82 (weak base)

    Molecular weight
    434.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2149°C

    Flash point

    • 281.15 ˚C est.

  • Synonyms

    • artobiloxanthone
    • DTXSID001316834
    • 121748-25-2
    • RefChem:916259
    • DTXCID701746660
    • 11,18,19,21-tetrahydroxy-7,7-dimethyl-16-prop-1-en-2-yl-2,8-dioxapentacyclo(12.8.0.03,12.04,9.017,22)docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one
    • CHEMBL1099162
    • SCHEMBL31237460
    • CHEBI:172673
    • BDBM50317859
    • (16R)-11,18,19,21-tetrahydroxy-7,7-dimethyl-16-prop-1-en-2-yl-2,8-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one
    • (9R)-6,10,11,13-Tetrahydroxy-3,3-dimethyl-9-(prop-1-en-2-yl)-8,9-dihydro-3H,7H-benzo[c]pyrano[3,2-h]xanthen-7-one
    • 121748-25-2

  • Applications

    Artobiloxanthone (CAS 121748-25-2) is a natural xanthone reported primarily as a bioactive natural product and research tool. In practical settings, it is typically used as a lead scaffold in medicinal chemistry and structure-activity relationship (SAR) exploration for the synthesis of xanthone derivatives; it also serves as a reference standard or analytical target in natural product chemistry studies. The compound is evaluated for antioxidant activity and is sometimes considered for inclusion in cosmetic/personal care formulations in exploratory work. It may also function as a chromophore or synthetic building block in dye, coating, or ink applications. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.81
    methanol 2.8
    isopropanol 1.72
    water 0.0
    ethyl acetate 4.32
    n-propanol 2.64
    acetone 10.0
    n-butanol 1.87
    acetonitrile 3.71
    DMF 51.43
    toluene 0.87
    isobutanol 1.68
    1,4-dioxane 15.69
    methyl acetate 7.35
    THF 47.99
    2-butanone 10.8
    n-pentanol 1.96
    sec-butanol 1.48
    n-hexane 0.03
    ethylene glycol 3.65
    NMP 65.49
    cyclohexane 0.04
    DMSO 88.38
    n-butyl acetate 4.74
    n-octanol 1.42
    chloroform 5.14
    n-propyl acetate 5.24
    acetic acid 16.54
    dichloromethane 4.22
    cyclohexanone 16.16
    propylene glycol 4.82
    isopropyl acetate 3.34
    DMAc 58.26
    2-ethoxyethanol 13.54
    isopentanol 1.68
    n-heptane 0.05
    ethyl formate 4.71
    1,2-dichloroethane 3.71
    n-hexanol 1.42
    2-methoxyethanol 28.25
    isobutyl acetate 3.6
    tetrachloromethane 0.3
    n-pentyl acetate 4.8
    transcutol 30.29
    n-heptanol 1.65
    ethylbenzene 0.49
    MIBK 3.49
    2-propoxyethanol 21.52
    tert-butanol 2.11
    MTBE 1.12
    2-butoxyethanol 11.31
    propionic acid 6.85
    o-xylene 0.54
    formic acid 8.46
    diethyl ether 1.17
    m-xylene 0.58
    p-xylene 0.83
    chlorobenzene 1.45
    dimethyl carbonate 9.85
    n-octane 0.03
    formamide 12.06
    cyclopentanone 37.56
    2-pentanone 5.72
    anisole 2.92
    cyclopentyl methyl ether 4.8
    gamma-butyrolactone 49.43
    1-methoxy-2-propanol 20.53
    pyridine 12.73
    3-pentanone 4.23
    furfural 29.25
    n-dodecane 0.05
    diethylene glycol 24.44
    diisopropyl ether 0.32
    tert-amyl alcohol 1.64
    acetylacetone 13.16
    n-hexadecane 0.06
    acetophenone 6.09
    methyl propionate 8.07
    isopentyl acetate 5.0
    trichloroethylene 12.34
    n-nonanol 1.57
    cyclohexanol 1.91
    benzyl alcohol 4.37
    2-ethylhexanol 1.1
    isooctanol 1.48
    dipropyl ether 1.75
    1,2-dichlorobenzene 1.54
    ethyl lactate 6.82
    propylene carbonate 13.65
    n-methylformamide 16.21
    2-pentanol 0.93
    n-pentane 0.02
    1-propoxy-2-propanol 12.93
    1-methoxy-2-propyl acetate 12.76
    2-(2-methoxypropoxy) propanol 13.0
    mesitylene 0.32
    ε-caprolactone 15.74
    p-cymene 0.56
    epichlorohydrin 39.24
    1,1,1-trichloroethane 2.16
    2-aminoethanol 4.99
    morpholine-4-carbaldehyde 52.26
    sulfolane 88.15
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 8.54
    n-hexyl acetate 4.68
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 16.64
    sec-butyl acetate 3.08
    tert-butyl acetate 4.35
    decalin 0.05
    glycerin 17.05
    diglyme 25.71
    acrylic acid 10.79
    isopropyl myristate 2.2
    n-butyric acid 6.9
    acetyl acetate 4.48
    di(2-ethylhexyl) phthalate 4.15
    ethyl propionate 4.56
    nitromethane 39.9
    1,2-diethoxyethane 6.21
    benzonitrile 4.52
    trioctyl phosphate 3.05
    1-bromopropane 1.04
    gamma-valerolactone 74.77
    n-decanol 1.2
    triethyl phosphate 3.22
    4-methyl-2-pentanol 0.81
    propionitrile 3.86
    vinylene carbonate 12.69
    1,1,2-trichlorotrifluoroethane 39.39
    DMS 8.39
    cumene 0.38
    2-octanol 1.03
    2-hexanone 5.85
    octyl acetate 3.12
    limonene 0.62
    1,2-dimethoxyethane 22.99
    ethyl orthosilicate 2.63
    tributyl phosphate 3.3
    diacetone alcohol 12.09
    N,N-dimethylaniline 2.18
    acrylonitrile 8.56
    aniline 2.72
    1,3-propanediol 7.45
    bromobenzene 1.16
    dibromomethane 1.79
    1,1,2,2-tetrachloroethane 9.97
    2-methyl-cyclohexyl acetate 4.67
    tetrabutyl urea 5.67
    diisobutyl methanol 0.87
    2-phenylethanol 4.88
    styrene 0.58
    dioctyl adipate 4.83
    dimethyl sulfate 23.66
    ethyl butyrate 3.94
    methyl lactate 14.95
    butyl lactate 7.4
    diethyl carbonate 3.1
    propanediol butyl ether 11.61
    triethyl orthoformate 4.04
    p-tert-butyltoluene 0.54
    methyl 4-tert-butylbenzoate 7.5
    morpholine 20.03
    tert-butylamine 0.46
    n-dodecanol 0.87
    dimethoxymethane 22.76
    ethylene carbonate 9.62
    cyrene 21.76
    2-ethoxyethyl acetate 10.26
    2-ethylhexyl acetate 3.67
    1,2,4-trichlorobenzene 3.14
    4-methylpyridine 7.53
    dibutyl ether 1.42
    2,6-dimethyl-4-heptanol 0.87
    DEF 9.6
    dimethyl isosorbide 27.23
    tetrachloroethylene 3.87
    eugenol 9.19
    triacetin 10.19
    span 80 9.79
    1,4-butanediol 3.37
    1,1-dichloroethane 2.13
    2-methyl-1-pentanol 1.68
    methyl formate 15.03
    2-methyl-1-butanol 1.51
    n-decane 0.07
    butyronitrile 2.66
    3,7-dimethyl-1-octanol 1.44
    1-chlorooctane 0.43
    1-chlorotetradecane 0.23
    n-nonane 0.05
    undecane 0.06
    tert-butylcyclohexane 0.04
    cyclooctane 0.02
    cyclopentanol 4.11
    tetrahydropyran 5.06
    tert-amyl methyl ether 1.21
    2,5,8-trioxanonane 20.41
    1-hexene 0.23
    2-isopropoxyethanol 8.36
    2,2,2-trifluoroethanol 5.95
    methyl butyrate 6.67

    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