Artonin T

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  • Identifiers

    CAS number
    161017-03-4

    Molecular formula
    C26H26O7

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 45.21%
    Spicy 39.9%
    Woody 37.08%
    Odorless 29.35%
    Fruity 28.9%
    Dry 28.42%
    Smoky 24.83%
    Burnt 23.67%
    Balsamic 23.32%
    Sweet 22.25%

     

    Flavor
    Bitter 92.48%
    Bland 22.75%
    Cedarleaf 20.23%
    Parsley 19.88%
    Lovage 18.94%
    Odorless 18.88%
    Sweet-like 18.42%
    Ripe apricot 18.34%
    Red fruit 18.13%
    Eugenol 17.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    9.44 (weak base)

    Molecular weight
    450.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3212°C

    Melting point expt.

    • 252 °C

    Flash point

    • 262.17 ˚C est.

  • Synonyms

    • Artonin T
    • CHEBI:176137
    • DTXSID001106578
    • LMPK12111523
    • 161017-03-4
    • 5a,6-Dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-2-(3-methyl-2-butenyl)-5H,7H-benzofuro[3,4-bc]xanthen-7-one
    • 5H,7H-Benzofuro[3,4-bc]xanthen-7-one, 5a,6-dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-2-(3-methyl-2-butenyl)-
    • 8,17,19-trihydroxy-6-methoxy-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
    • 161017-03-4

  • Applications

    Artonin T (CAS 161017-03-4) is a natural product that is primarily evaluated in research contexts for its bioactivity, including antimicrobial, cytotoxic, and antioxidant effects, and is often considered a lead compound for drug discovery and medicinal chemistry studies. It is also explored as a cosmetic ingredient or active component with antioxidant and anti-inflammatory potential in formulation research. In materials science, Artonin T may be investigated as an antioxidant or stabilizing additive for polymers and coatings, subject to regulatory limits. In natural product chemistry and synthesis, it serves as a reference standard and a target for method development and process optimization. The compound is used in laboratory settings and its deployment in commercial products would depend on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.42
    methanol 2.38
    isopropanol 1.19
    water 0.01
    ethyl acetate 6.81
    n-propanol 1.88
    acetone 14.5
    n-butanol 1.44
    acetonitrile 5.05
    DMF 47.54
    toluene 1.91
    isobutanol 1.43
    1,4-dioxane 20.08
    methyl acetate 11.36
    THF 40.49
    2-butanone 13.45
    n-pentanol 1.76
    sec-butanol 1.15
    n-hexane 0.04
    ethylene glycol 2.36
    NMP 87.09
    cyclohexane 0.09
    DMSO 63.52
    n-butyl acetate 7.42
    n-octanol 1.84
    chloroform 31.81
    n-propyl acetate 8.17
    acetic acid 23.05
    dichloromethane 22.07
    cyclohexanone 26.17
    propylene glycol 2.77
    isopropyl acetate 5.32
    DMAc 73.12
    2-ethoxyethanol 10.77
    isopentanol 1.59
    n-heptane 0.06
    ethyl formate 6.72
    1,2-dichloroethane 11.52
    n-hexanol 1.4
    2-methoxyethanol 17.25
    isobutyl acetate 6.6
    tetrachloromethane 1.44
    n-pentyl acetate 8.1
    transcutol 30.59
    n-heptanol 1.93
    ethylbenzene 1.06
    MIBK 5.01
    2-propoxyethanol 20.19
    tert-butanol 1.86
    MTBE 1.51
    2-butoxyethanol 12.78
    propionic acid 8.52
    o-xylene 1.17
    formic acid 8.74
    diethyl ether 1.43
    m-xylene 1.16
    p-xylene 2.1
    chlorobenzene 5.03
    dimethyl carbonate 15.91
    n-octane 0.04
    formamide 11.91
    cyclopentanone 46.79
    2-pentanone 7.31
    anisole 5.04
    cyclopentyl methyl ether 5.94
    gamma-butyrolactone 61.04
    1-methoxy-2-propanol 13.2
    pyridine 21.12
    3-pentanone 6.95
    furfural 47.31
    n-dodecane 0.07
    diethylene glycol 20.61
    diisopropyl ether 0.47
    tert-amyl alcohol 1.6
    acetylacetone 20.11
    n-hexadecane 0.08
    acetophenone 11.89
    methyl propionate 10.84
    isopentyl acetate 8.09
    trichloroethylene 50.42
    n-nonanol 2.1
    cyclohexanol 2.15
    benzyl alcohol 6.98
    2-ethylhexanol 1.4
    isooctanol 1.88
    dipropyl ether 1.97
    1,2-dichlorobenzene 6.06
    ethyl lactate 8.67
    propylene carbonate 24.43
    n-methylformamide 15.08
    2-pentanol 0.78
    n-pentane 0.03
    1-propoxy-2-propanol 12.33
    1-methoxy-2-propyl acetate 16.97
    2-(2-methoxypropoxy) propanol 15.74
    mesitylene 0.61
    ε-caprolactone 23.81
    p-cymene 1.14
    epichlorohydrin 57.64
    1,1,1-trichloroethane 10.11
    2-aminoethanol 3.06
    morpholine-4-carbaldehyde 66.87
    sulfolane 108.07
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 9.94
    n-hexyl acetate 8.05
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 18.42
    sec-butyl acetate 4.98
    tert-butyl acetate 6.53
    decalin 0.09
    glycerin 10.61
    diglyme 31.21
    acrylic acid 14.27
    isopropyl myristate 3.51
    n-butyric acid 8.43
    acetyl acetate 9.89
    di(2-ethylhexyl) phthalate 6.95
    ethyl propionate 6.79
    nitromethane 57.98
    1,2-diethoxyethane 7.55
    benzonitrile 8.93
    trioctyl phosphate 4.57
    1-bromopropane 2.54
    gamma-valerolactone 93.27
    n-decanol 1.52
    triethyl phosphate 5.51
    4-methyl-2-pentanol 0.82
    propionitrile 4.67
    vinylene carbonate 26.03
    1,1,2-trichlorotrifluoroethane 70.04
    DMS 16.01
    cumene 0.79
    2-octanol 1.29
    2-hexanone 8.2
    octyl acetate 4.86
    limonene 1.16
    1,2-dimethoxyethane 22.16
    ethyl orthosilicate 4.35
    tributyl phosphate 5.25
    diacetone alcohol 12.65
    N,N-dimethylaniline 3.83
    acrylonitrile 10.96
    aniline 4.48
    1,3-propanediol 4.76
    bromobenzene 4.98
    dibromomethane 8.72
    1,1,2,2-tetrachloroethane 35.08
    2-methyl-cyclohexyl acetate 8.41
    tetrabutyl urea 8.44
    diisobutyl methanol 1.04
    2-phenylethanol 8.03
    styrene 1.39
    dioctyl adipate 7.8
    dimethyl sulfate 38.53
    ethyl butyrate 5.99
    methyl lactate 15.65
    butyl lactate 10.52
    diethyl carbonate 5.21
    propanediol butyl ether 12.03
    triethyl orthoformate 5.87
    p-tert-butyltoluene 1.02
    methyl 4-tert-butylbenzoate 13.11
    morpholine 21.02
    tert-butylamine 0.51
    n-dodecanol 1.11
    dimethoxymethane 21.73
    ethylene carbonate 18.69
    cyrene 30.65
    2-ethoxyethyl acetate 16.68
    2-ethylhexyl acetate 6.26
    1,2,4-trichlorobenzene 11.59
    4-methylpyridine 13.59
    dibutyl ether 1.9
    2,6-dimethyl-4-heptanol 1.04
    DEF 12.24
    dimethyl isosorbide 35.16
    tetrachloroethylene 15.41
    eugenol 14.65
    triacetin 17.76
    span 80 13.04
    1,4-butanediol 2.48
    1,1-dichloroethane 7.7
    2-methyl-1-pentanol 1.77
    methyl formate 16.39
    2-methyl-1-butanol 1.4
    n-decane 0.1
    butyronitrile 3.18
    3,7-dimethyl-1-octanol 1.92
    1-chlorooctane 0.79
    1-chlorotetradecane 0.39
    n-nonane 0.07
    undecane 0.08
    tert-butylcyclohexane 0.08
    cyclooctane 0.03
    cyclopentanol 4.05
    tetrahydropyran 6.52
    tert-amyl methyl ether 1.42
    2,5,8-trioxanonane 24.07
    1-hexene 0.32
    2-isopropoxyethanol 8.12
    2,2,2-trifluoroethanol 10.67
    methyl butyrate 9.34

    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