Artonin J

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  • Identifiers

    CAS number
    148719-51-1

    Molecular formula
    C25H24O7

    SMILES
    CC(=CCC1=C(C2=C3C(CC4=C2OC5=CC(=CC(=C5C4=O)O)O)C(OC3=C1O)(C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 47.16%
    Odorless 37.22%
    Spicy 34.52%
    Woody 31.49%
    Dry 26.11%
    Burnt 24.97%
    Fruity 24.15%
    Smoky 23.55%
    Animal 21.32%
    Leathery 20.83%

     

    Flavor
    Bitter 93.28%
    Bland 22.06%
    Cedarleaf 20.47%
    Odorless 20.26%
    Parsley 19.65%
    Lovage 19.05%
    Sweet-like 18.77%
    Ripe apricot 18.42%
    Red fruit 18.27%
    Eugenol 18.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    9.82 (weak base)

    Molecular weight
    436.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3488°C

    Melting point expt.

    • 281 - 282 °C

    Flash point

    • 283.91 ˚C est.

  • Synonyms

    • Artonin J
    • 148719-51-1
    • 6,8,17,19-tetrahydroxy-14,14-dimethyl-18-(3-methylbut-2-enyl)-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2(11),4,6,8,16,18-heptaen-10-one
    • 6,8,17,19-tetrahydroxy-14,14-dimethyl-18-(3-methylbut-2-enyl)-3,15-dioxapentacyclo(11.6.1.02,11.04,9.016,20)icosa-1(20),2(11),4,6,8,16,18-heptaen-10-one
    • RefChem:114363
    • CHEMBL4165611
    • CHEBI:169875
    • DTXSID301318691
    • LMPK12111522
    • 1,3,8,10-Tetrahydroxy-5,5-dimethyl-2-(3-methylbut-2-en-1-yl)-5a,6-dihydro-5H,7H-[1]benzofuro[3,4-bc]xanthen-7-one
    • 148719-51-1

  • Applications

    Artonin J (CAS 148719-51-1) is a natural product primarily used in research contexts as a potential pharmacological lead and chemical probe, with studies of cytotoxic, antimicrobial, and antioxidant activities guiding early drug-discovery efforts. It is also employed as a synthetic intermediate for the preparation of xanthone derivatives in organic and medicinal chemistry, enabling library generation and structure-activity investigations. In natural products analytics, Artonin J can serve as an analytical reference standard for chromatographic characterization and as a building block in academic or industrial programs exploring related compounds. Additionally, it is evaluated in academic settings as a scaffold for exploring new functionalisations and selective transformations, for research use under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.11
    methanol 3.66
    isopropanol 1.72
    water 0.01
    ethyl acetate 5.14
    n-propanol 2.77
    acetone 13.15
    n-butanol 2.0
    acetonitrile 4.37
    DMF 69.43
    toluene 1.16
    isobutanol 1.77
    1,4-dioxane 19.72
    methyl acetate 8.79
    THF 46.49
    2-butanone 13.16
    n-pentanol 2.43
    sec-butanol 1.5
    n-hexane 0.05
    ethylene glycol 4.26
    NMP 94.26
    cyclohexane 0.06
    DMSO 97.21
    n-butyl acetate 7.46
    n-octanol 2.2
    chloroform 12.73
    n-propyl acetate 7.65
    acetic acid 21.8
    dichloromethane 9.63
    cyclohexanone 23.76
    propylene glycol 5.68
    isopropyl acetate 4.33
    DMAc 83.28
    2-ethoxyethanol 16.33
    isopentanol 1.9
    n-heptane 0.06
    ethyl formate 6.3
    1,2-dichloroethane 6.25
    n-hexanol 1.91
    2-methoxyethanol 31.38
    isobutyl acetate 5.98
    tetrachloromethane 0.64
    n-pentyl acetate 7.9
    transcutol 40.75
    n-heptanol 2.43
    ethylbenzene 0.75
    MIBK 4.89
    2-propoxyethanol 28.22
    tert-butanol 2.21
    MTBE 1.45
    2-butoxyethanol 16.87
    propionic acid 9.13
    o-xylene 0.78
    formic acid 11.47
    diethyl ether 1.32
    m-xylene 0.81
    p-xylene 1.46
    chlorobenzene 2.8
    dimethyl carbonate 13.14
    n-octane 0.04
    formamide 15.76
    cyclopentanone 46.55
    2-pentanone 7.2
    anisole 4.27
    cyclopentyl methyl ether 5.78
    gamma-butyrolactone 61.45
    1-methoxy-2-propanol 24.33
    pyridine 17.38
    3-pentanone 5.72
    furfural 43.77
    n-dodecane 0.07
    diethylene glycol 31.51
    diisopropyl ether 0.4
    tert-amyl alcohol 1.89
    acetylacetone 16.94
    n-hexadecane 0.09
    acetophenone 10.16
    methyl propionate 9.63
    isopentyl acetate 8.0
    trichloroethylene 24.87
    n-nonanol 2.47
    cyclohexanol 2.32
    benzyl alcohol 6.71
    2-ethylhexanol 1.61
    isooctanol 2.17
    dipropyl ether 2.13
    1,2-dichlorobenzene 3.11
    ethyl lactate 10.15
    propylene carbonate 21.6
    n-methylformamide 20.74
    2-pentanol 1.02
    n-pentane 0.03
    1-propoxy-2-propanol 17.69
    1-methoxy-2-propyl acetate 18.19
    2-(2-methoxypropoxy) propanol 18.47
    mesitylene 0.44
    ε-caprolactone 22.82
    p-cymene 0.93
    epichlorohydrin 51.83
    1,1,1-trichloroethane 4.54
    2-aminoethanol 5.89
    morpholine-4-carbaldehyde 79.79
    sulfolane 121.95
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 9.7
    n-hexyl acetate 7.85
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 22.7
    sec-butyl acetate 4.52
    tert-butyl acetate 5.77
    decalin 0.08
    glycerin 20.94
    diglyme 35.7
    acrylic acid 15.31
    isopropyl myristate 3.53
    n-butyric acid 8.96
    acetyl acetate 6.2
    di(2-ethylhexyl) phthalate 6.81
    ethyl propionate 5.97
    nitromethane 52.04
    1,2-diethoxyethane 8.35
    benzonitrile 7.36
    trioctyl phosphate 4.84
    1-bromopropane 1.56
    gamma-valerolactone 103.05
    n-decanol 1.79
    triethyl phosphate 5.0
    4-methyl-2-pentanol 0.99
    propionitrile 4.58
    vinylene carbonate 21.65
    1,1,2-trichlorotrifluoroethane 63.23
    DMS 13.48
    cumene 0.62
    2-octanol 1.57
    2-hexanone 8.7
    octyl acetate 4.89
    limonene 1.0
    1,2-dimethoxyethane 27.94
    ethyl orthosilicate 4.01
    tributyl phosphate 5.42
    diacetone alcohol 15.52
    N,N-dimethylaniline 3.52
    acrylonitrile 10.61
    aniline 3.65
    1,3-propanediol 8.53
    bromobenzene 2.35
    dibromomethane 3.79
    1,1,2,2-tetrachloroethane 19.21
    2-methyl-cyclohexyl acetate 7.82
    tetrabutyl urea 8.94
    diisobutyl methanol 1.2
    2-phenylethanol 7.87
    styrene 0.91
    dioctyl adipate 7.27
    dimethyl sulfate 33.8
    ethyl butyrate 5.64
    methyl lactate 20.25
    butyl lactate 11.92
    diethyl carbonate 4.37
    propanediol butyl ether 18.29
    triethyl orthoformate 5.84
    p-tert-butyltoluene 0.9
    methyl 4-tert-butylbenzoate 12.31
    morpholine 24.64
    tert-butylamine 0.51
    n-dodecanol 1.28
    dimethoxymethane 27.56
    ethylene carbonate 15.52
    cyrene 34.96
    2-ethoxyethyl acetate 15.81
    2-ethylhexyl acetate 6.05
    1,2,4-trichlorobenzene 6.27
    4-methylpyridine 11.19
    dibutyl ether 2.0
    2,6-dimethyl-4-heptanol 1.2
    DEF 12.58
    dimethyl isosorbide 38.59
    tetrachloroethylene 7.48
    eugenol 15.24
    triacetin 17.22
    span 80 15.37
    1,4-butanediol 4.18
    1,1-dichloroethane 3.84
    2-methyl-1-pentanol 2.18
    methyl formate 19.27
    2-methyl-1-butanol 1.68
    n-decane 0.11
    butyronitrile 3.33
    3,7-dimethyl-1-octanol 2.06
    1-chlorooctane 0.7
    1-chlorotetradecane 0.35
    n-nonane 0.08
    undecane 0.09
    tert-butylcyclohexane 0.07
    cyclooctane 0.03
    cyclopentanol 4.57
    tetrahydropyran 6.13
    tert-amyl methyl ether 1.44
    2,5,8-trioxanonane 28.66
    1-hexene 0.32
    2-isopropoxyethanol 10.61
    2,2,2-trifluoroethanol 9.36
    methyl butyrate 8.88

    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