artonin F

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  • Identifiers

    CAS number
    129683-94-9

    Molecular formula
    C30H30O7

    SMILES
    CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)C5=C6C(C4)C(OC6=C(C=C5O)O)(C)C)C=CC(O2)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 40.76%
    Spicy 38.17%
    Woody 36.53%
    Fruity 32.53%
    Dry 28.89%
    Sweet 25.39%
    Musk 24.07%
    Odorless 23.57%
    Powdery 22.62%
    Balsamic 21.82%

     

    Flavor
    Bitter 92.22%
    Bland 20.17%
    Cedarleaf 20.02%
    Parsley 19.39%
    Lovage 18.6%
    Ripe apricot 18.39%
    Red fruit 18.21%
    Sweet-like 17.85%
    Heather 17.51%
    Eugenol 17.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    9.72 (weak base)

    Molecular weight
    502.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2756°C

    Melting point expt.

    • 248 °C

    Flash point

    • 269.35 ˚C est.

  • Synonyms

    • artonin F
    • SCHEMBL26679512
    • CHEBI:175847
    • DTXSID801102544
    • LMPK12111518
    • 129683-94-9
    • 12,21,23-trihydroxy-8,8,18,18-tetramethyl-11-(3-methylbut-2-enyl)-3,9,19-trioxahexacyclo[15.6.1.02,15.04,13.05,10.020,24]tetracosa-1(24),2(15),4,6,10,12,20,22-octaen-14-one
    • 5a,6-Dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-9-(3-methyl-2-buten-1-yl)-5H,7H,11H-benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one
    • 129683-94-9

  • Applications

    artonin F (CAS 129683-94-9) is a natural product often viewed by researchers as a potential lead in medicinal chemistry and as a building block in organic synthesis. In practical terms, it is commonly used as an intermediate or building block in synthesis and in the development of natural product libraries. It is also used as an analytical reference compound for method development and quality control in natural product research. In cosmetics and personal care, artonin F may be evaluated for antioxidant activity and formulation compatibility, while in agricultural or antimicrobial research it may be explored for bioactive properties as a basis for the development of derivatives. Overall, its applications are exploratory and dependent on regulatory context and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.4
    methanol 4.01
    isopropanol 1.57
    water 0.01
    ethyl acetate 8.36
    n-propanol 2.95
    acetone 14.42
    n-butanol 2.1
    acetonitrile 6.95
    DMF 57.42
    toluene 2.62
    isobutanol 2.04
    1,4-dioxane 19.61
    methyl acetate 13.88
    THF 39.06
    2-butanone 15.25
    n-pentanol 2.44
    sec-butanol 1.65
    n-hexane 0.07
    ethylene glycol 2.71
    NMP 94.72
    cyclohexane 0.11
    DMSO 49.94
    n-butyl acetate 9.41
    n-octanol 2.49
    chloroform 44.23
    n-propyl acetate 10.49
    acetic acid 26.99
    dichloromethane 30.72
    cyclohexanone 26.06
    propylene glycol 3.34
    isopropyl acetate 6.03
    DMAc 78.64
    2-ethoxyethanol 12.7
    isopentanol 2.01
    n-heptane 0.09
    ethyl formate 9.69
    1,2-dichloroethane 15.08
    n-hexanol 1.9
    2-methoxyethanol 18.59
    isobutyl acetate 8.13
    tetrachloromethane 2.08
    n-pentyl acetate 10.05
    transcutol 30.99
    n-heptanol 2.34
    ethylbenzene 1.52
    MIBK 5.87
    2-propoxyethanol 21.55
    tert-butanol 1.91
    MTBE 1.81
    2-butoxyethanol 14.02
    propionic acid 11.57
    o-xylene 1.6
    formic acid 10.8
    diethyl ether 2.03
    m-xylene 1.53
    p-xylene 2.62
    chlorobenzene 6.82
    dimethyl carbonate 18.03
    n-octane 0.06
    formamide 13.66
    cyclopentanone 48.06
    2-pentanone 8.73
    anisole 6.51
    cyclopentyl methyl ether 7.02
    gamma-butyrolactone 62.95
    1-methoxy-2-propanol 14.53
    pyridine 25.26
    3-pentanone 8.16
    furfural 49.94
    n-dodecane 0.1
    diethylene glycol 17.78
    diisopropyl ether 0.59
    tert-amyl alcohol 1.89
    acetylacetone 18.82
    n-hexadecane 0.13
    acetophenone 13.78
    methyl propionate 13.72
    isopentyl acetate 9.51
    trichloroethylene 60.86
    n-nonanol 2.72
    cyclohexanol 2.32
    benzyl alcohol 8.07
    2-ethylhexanol 1.79
    isooctanol 2.28
    dipropyl ether 2.73
    1,2-dichlorobenzene 8.09
    ethyl lactate 10.56
    propylene carbonate 25.32
    n-methylformamide 20.94
    2-pentanol 1.11
    n-pentane 0.05
    1-propoxy-2-propanol 14.12
    1-methoxy-2-propyl acetate 18.48
    2-(2-methoxypropoxy) propanol 17.42
    mesitylene 0.77
    ε-caprolactone 27.45
    p-cymene 1.45
    epichlorohydrin 62.71
    1,1,1-trichloroethane 12.01
    2-aminoethanol 4.05
    morpholine-4-carbaldehyde 72.7
    sulfolane 99.77
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 11.46
    n-hexyl acetate 10.19
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 19.76
    sec-butyl acetate 6.24
    tert-butyl acetate 6.62
    decalin 0.13
    glycerin 10.19
    diglyme 31.18
    acrylic acid 18.4
    isopropyl myristate 4.12
    n-butyric acid 10.87
    acetyl acetate 9.76
    di(2-ethylhexyl) phthalate 8.27
    ethyl propionate 9.1
    nitromethane 60.37
    1,2-diethoxyethane 8.56
    benzonitrile 10.94
    trioctyl phosphate 5.46
    1-bromopropane 3.75
    gamma-valerolactone 92.67
    n-decanol 1.96
    triethyl phosphate 6.51
    4-methyl-2-pentanol 1.03
    propionitrile 6.76
    vinylene carbonate 30.14
    1,1,2-trichlorotrifluoroethane 66.76
    DMS 17.77
    cumene 1.12
    2-octanol 1.6
    2-hexanone 10.04
    octyl acetate 5.98
    limonene 1.44
    1,2-dimethoxyethane 23.75
    ethyl orthosilicate 5.18
    tributyl phosphate 6.39
    diacetone alcohol 12.0
    N,N-dimethylaniline 4.81
    acrylonitrile 15.17
    aniline 5.46
    1,3-propanediol 5.36
    bromobenzene 6.63
    dibromomethane 12.85
    1,1,2,2-tetrachloroethane 40.85
    2-methyl-cyclohexyl acetate 9.22
    tetrabutyl urea 10.0
    diisobutyl methanol 1.22
    2-phenylethanol 8.49
    styrene 1.97
    dioctyl adipate 9.01
    dimethyl sulfate 39.14
    ethyl butyrate 7.64
    methyl lactate 17.48
    butyl lactate 12.57
    diethyl carbonate 6.44
    propanediol butyl ether 13.38
    triethyl orthoformate 7.29
    p-tert-butyltoluene 1.24
    methyl 4-tert-butylbenzoate 14.31
    morpholine 22.15
    tert-butylamine 0.62
    n-dodecanol 1.44
    dimethoxymethane 25.01
    ethylene carbonate 20.82
    cyrene 29.95
    2-ethoxyethyl acetate 18.54
    2-ethylhexyl acetate 7.78
    1,2,4-trichlorobenzene 14.94
    4-methylpyridine 16.32
    dibutyl ether 2.52
    2,6-dimethyl-4-heptanol 1.22
    DEF 15.62
    dimethyl isosorbide 37.82
    tetrachloroethylene 19.21
    eugenol 15.55
    triacetin 20.64
    span 80 14.17
    1,4-butanediol 2.99
    1,1-dichloroethane 10.32
    2-methyl-1-pentanol 2.26
    methyl formate 20.56
    2-methyl-1-butanol 1.92
    n-decane 0.16
    butyronitrile 4.69
    3,7-dimethyl-1-octanol 2.39
    1-chlorooctane 1.13
    1-chlorotetradecane 0.54
    n-nonane 0.12
    undecane 0.12
    tert-butylcyclohexane 0.11
    cyclooctane 0.05
    cyclopentanol 4.8
    tetrahydropyran 7.58
    tert-amyl methyl ether 1.82
    2,5,8-trioxanonane 23.6
    1-hexene 0.49
    2-isopropoxyethanol 9.21
    2,2,2-trifluoroethanol 12.09
    methyl butyrate 12.29

    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