Artonin K

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  • Identifiers

    CAS number
    148719-61-3

    Molecular formula
    C21H18O7

    SMILES
    CC1(C2CC3=C(C4=C2C(=C(C=C4O)O)O1)OC5=CC(=CC(=C5C3=O)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 50.03%
    Odorless 44.45%
    Spicy 30.07%
    Woody 28.78%
    Burnt 25.48%
    Dry 24.1%
    Smoky 23.72%
    Balsamic 21.83%
    Medicinal 20.9%
    Sweet 20.46%

     

    Flavor
    Bitter 95.37%
    Bland 23.79%
    Odorless 20.65%
    Cedarleaf 20.22%
    Parsley 19.65%
    Sweet-like 19.48%
    Lovage 18.73%
    Ripe apricot 18.51%
    Red fruit 18.28%
    Indole 18.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.98 (weak base)

    Molecular weight
    382.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1759°C

    Melting point expt.

    • 312 - 314 °C

    Flash point

    • 272.34 ˚C est.

  • Synonyms

    • Artonin K
    • CHEBI:175885
    • DTXSID901119768
    • LMPK12111521
    • 148719-61-3
    • 1,3,8-Trihydroxy-10-methoxy-5,5-dimethyl-5a,6-dihydro-5H,7H-[1]benzofuro[3,4-bc]xanthen-7-one
    • 5a,6-Dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-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-
    • 8,17,19-trihydroxy-6-methoxy-14,14-dimethyl-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
    • 148719-61-3

  • Applications

    Artonin K (CAS 148719-61-3) is a natural, prenylated flavonoid typically encountered in research and development as an intermediate or building block for organic synthesis; it is commonly evaluated as a bioactive lead in pharmaceutical research and medicinal chemistry due to its origin in natural products; in cosmetics and personal care, it may be explored as an antioxidant or stabilizing additive for formulations; in analytical and quality-control work, it can serve as a reference natural product or standard for analytical methods and profiling of natural compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.37
    methanol 0.68
    isopropanol 0.41
    water 0.01
    ethyl acetate 2.74
    n-propanol 0.52
    acetone 4.29
    n-butanol 0.52
    acetonitrile 2.59
    DMF 31.62
    toluene 0.25
    isobutanol 0.45
    1,4-dioxane 7.32
    methyl acetate 4.27
    THF 18.91
    2-butanone 4.25
    n-pentanol 0.55
    sec-butanol 0.34
    n-hexane 0.01
    ethylene glycol 1.95
    NMP 39.43
    cyclohexane 0.02
    DMSO 72.87
    n-butyl acetate 4.14
    n-octanol 0.98
    chloroform 3.81
    n-propyl acetate 3.73
    acetic acid 7.23
    dichloromethane 3.32
    cyclohexanone 9.81
    propylene glycol 1.2
    isopropyl acetate 2.24
    DMAc 41.2
    2-ethoxyethanol 5.86
    isopentanol 0.66
    n-heptane 0.02
    ethyl formate 3.26
    1,2-dichloroethane 2.57
    n-hexanol 0.53
    2-methoxyethanol 11.99
    isobutyl acetate 3.02
    tetrachloromethane 0.26
    n-pentyl acetate 3.78
    transcutol 15.8
    n-heptanol 0.97
    ethylbenzene 0.21
    MIBK 2.26
    2-propoxyethanol 12.48
    tert-butanol 0.78
    MTBE 0.41
    2-butoxyethanol 7.78
    propionic acid 2.81
    o-xylene 0.23
    formic acid 6.29
    diethyl ether 0.37
    m-xylene 0.24
    p-xylene 0.45
    chlorobenzene 0.85
    dimethyl carbonate 7.8
    n-octane 0.02
    formamide 9.77
    cyclopentanone 20.86
    2-pentanone 2.59
    anisole 1.33
    cyclopentyl methyl ether 1.99
    gamma-butyrolactone 32.95
    1-methoxy-2-propanol 8.32
    pyridine 5.89
    3-pentanone 2.15
    furfural 22.95
    n-dodecane 0.04
    diethylene glycol 19.0
    diisopropyl ether 0.16
    tert-amyl alcohol 0.55
    acetylacetone 9.39
    n-hexadecane 0.05
    acetophenone 4.17
    methyl propionate 4.53
    isopentyl acetate 4.42
    trichloroethylene 9.89
    n-nonanol 1.18
    cyclohexanol 0.72
    benzyl alcohol 2.15
    2-ethylhexanol 0.61
    isooctanol 0.97
    dipropyl ether 0.93
    1,2-dichlorobenzene 1.31
    ethyl lactate 5.7
    propylene carbonate 12.2
    n-methylformamide 9.63
    2-pentanol 0.27
    n-pentane 0.01
    1-propoxy-2-propanol 7.69
    1-methoxy-2-propyl acetate 10.95
    2-(2-methoxypropoxy) propanol 9.3
    mesitylene 0.16
    ε-caprolactone 10.25
    p-cymene 0.42
    epichlorohydrin 25.14
    1,1,1-trichloroethane 1.8
    2-aminoethanol 1.6
    morpholine-4-carbaldehyde 37.31
    sulfolane 64.08
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.31
    n-hexyl acetate 3.67
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 10.1
    sec-butyl acetate 2.02
    tert-butyl acetate 2.89
    decalin 0.03
    glycerin 8.01
    diglyme 19.66
    acrylic acid 5.69
    isopropyl myristate 1.94
    n-butyric acid 3.4
    acetyl acetate 3.89
    di(2-ethylhexyl) phthalate 3.69
    ethyl propionate 3.34
    nitromethane 31.44
    1,2-diethoxyethane 3.97
    benzonitrile 3.95
    trioctyl phosphate 2.73
    1-bromopropane 0.44
    gamma-valerolactone 44.68
    n-decanol 0.89
    triethyl phosphate 3.65
    4-methyl-2-pentanol 0.36
    propionitrile 2.39
    vinylene carbonate 12.41
    1,1,2-trichlorotrifluoroethane 31.52
    DMS 7.66
    cumene 0.2
    2-octanol 0.63
    2-hexanone 3.12
    octyl acetate 2.65
    limonene 0.43
    1,2-dimethoxyethane 14.24
    ethyl orthosilicate 2.66
    tributyl phosphate 3.22
    diacetone alcohol 7.21
    N,N-dimethylaniline 1.19
    acrylonitrile 6.55
    aniline 0.99
    1,3-propanediol 2.95
    bromobenzene 0.73
    dibromomethane 1.16
    1,1,2,2-tetrachloroethane 7.35
    2-methyl-cyclohexyl acetate 4.26
    tetrabutyl urea 5.28
    diisobutyl methanol 0.6
    2-phenylethanol 3.15
    styrene 0.25
    dioctyl adipate 4.17
    dimethyl sulfate 23.84
    ethyl butyrate 3.45
    methyl lactate 9.45
    butyl lactate 5.78
    diethyl carbonate 3.38
    propanediol butyl ether 6.6
    triethyl orthoformate 3.68
    p-tert-butyltoluene 0.38
    methyl 4-tert-butylbenzoate 6.36
    morpholine 8.11
    tert-butylamine 0.17
    n-dodecanol 0.68
    dimethoxymethane 12.14
    ethylene carbonate 9.63
    cyrene 17.23
    2-ethoxyethyl acetate 8.0
    2-ethylhexyl acetate 3.37
    1,2,4-trichlorobenzene 2.56
    4-methylpyridine 3.7
    dibutyl ether 0.97
    2,6-dimethyl-4-heptanol 0.6
    DEF 5.61
    dimethyl isosorbide 21.5
    tetrachloroethylene 3.25
    eugenol 7.8
    triacetin 9.03
    span 80 6.54
    1,4-butanediol 1.45
    1,1-dichloroethane 1.31
    2-methyl-1-pentanol 0.61
    methyl formate 10.3
    2-methyl-1-butanol 0.47
    n-decane 0.05
    butyronitrile 1.63
    3,7-dimethyl-1-octanol 0.99
    1-chlorooctane 0.33
    1-chlorotetradecane 0.19
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 1.37
    tetrahydropyran 1.75
    tert-amyl methyl ether 0.46
    2,5,8-trioxanonane 16.39
    1-hexene 0.07
    2-isopropoxyethanol 4.12
    2,2,2-trifluoroethanol 6.02
    methyl butyrate 4.67

    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