Artonin A

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  • Identifiers

    CAS number
    124721-15-9

    Molecular formula
    C30H30O7

    SMILES
    CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)CC5C6=C4C(=CC(=C6OC5(C)C)O)O)O)C=CC(O2)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 40.87%
    Spicy 38.36%
    Woody 36.48%
    Fruity 31.76%
    Dry 28.9%
    Sweet 25.41%
    Musk 24.15%
    Odorless 23.61%
    Powdery 22.7%
    Smoky 21.83%

     

    Flavor
    Bitter 92.07%
    Bland 20.12%
    Cedarleaf 20.04%
    Parsley 19.42%
    Lovage 18.61%
    Ripe apricot 18.43%
    Red fruit 18.24%
    Sweet-like 17.85%
    Heather 17.53%
    Eugenol 17.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    9.73 (weak base)

    Molecular weight
    502.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2768°C

    Melting point expt.

    • 239 - 240 °C

    Flash point

    • 271.71 ˚C est.

  • Synonyms

    • artonin A
    • 124721-15-9
    • 12,21,23-trihydroxy-8,8,18,18-tetramethyl-5-(3-methylbut-2-en-1-yl)-3,7,19-trioxahexacyclo[15.6.1.0^{2,15}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1(23),2(15),4,6(11),9,12,20(24),21-octaen-14-one
    • 12,21,23-trihydroxy-8,8,18,18-tetramethyl-5-(3-methylbut-2-enyl)-3,7,19-trioxahexacyclo[15.6.1.02,15.04,13.06,11.020,24]tetracosa-1(24),2(15),4(13),5,9,11,20,22-octaen-14-one
    • 12,21,23-trihydroxy-8,8,18,18-tetramethyl-5-(3-methylbut-2-en-1-yl)-3,7,19-trioxahexacyclo(15.6.1.0^(2,15).0^(4,13).0^(6,11).0^(20,24))tetracosa-1(23),2(15),4,6(11),9,12,20(24),21-octaen-14-one
    • 12,21,23-trihydroxy-8,8,18,18-tetramethyl-5-(3-methylbut-2-enyl)-3,7,19-trioxahexacyclo(15.6.1.02,15.04,13.06,11.020,24)tetracosa-1(24),2(15),4(13),5,9,11,20,22-octaen-14-one
    • RefChem:114360
    • CHEMBL516550
    • SCHEMBL25937907
    • CHEBI:175845
    • DTXSID601318626
    • 1,3,8-Trihydroxy-5,5,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-5a,6-dihydro-5H,7H,11H-[1]benzofuro[3,4-bc]pyrano[2,3-i]xanthen-7-one
    • 124721-15-9

  • Applications

    Artonin A, CAS 124721-15-9, is a natural product evaluated in medicinal chemistry and organic synthesis. In industrial research, it is often regarded as a synthetic intermediate or core scaffold for derivative design; it has been evaluated for biological activity (for example potential antimicrobial or antiproliferative effects) and thus serves as a basis for structure optimization. It may also be used as an intermediate in the preparation of more complex molecules and as a reference standard in analytical studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.93
    methanol 4.67
    isopropanol 1.9
    water 0.01
    ethyl acetate 10.64
    n-propanol 3.55
    acetone 17.02
    n-butanol 2.56
    acetonitrile 8.48
    DMF 68.41
    toluene 3.24
    isobutanol 2.46
    1,4-dioxane 22.61
    methyl acetate 16.86
    THF 45.34
    2-butanone 18.31
    n-pentanol 2.82
    sec-butanol 2.03
    n-hexane 0.09
    ethylene glycol 3.12
    NMP 112.46
    cyclohexane 0.13
    DMSO 57.19
    n-butyl acetate 11.35
    n-octanol 2.8
    chloroform 53.6
    n-propyl acetate 12.35
    acetic acid 32.82
    dichloromethane 37.7
    cyclohexanone 30.62
    propylene glycol 3.9
    isopropyl acetate 7.61
    DMAc 93.26
    2-ethoxyethanol 14.44
    isopentanol 2.4
    n-heptane 0.11
    ethyl formate 11.49
    1,2-dichloroethane 18.48
    n-hexanol 2.26
    2-methoxyethanol 22.0
    isobutyl acetate 9.55
    tetrachloromethane 2.6
    n-pentyl acetate 11.67
    transcutol 36.77
    n-heptanol 2.65
    ethylbenzene 1.79
    MIBK 7.14
    2-propoxyethanol 24.98
    tert-butanol 2.34
    MTBE 2.32
    2-butoxyethanol 16.06
    propionic acid 14.04
    o-xylene 1.97
    formic acid 13.02
    diethyl ether 2.6
    m-xylene 1.87
    p-xylene 3.05
    chlorobenzene 8.22
    dimethyl carbonate 22.52
    n-octane 0.08
    formamide 16.33
    cyclopentanone 56.12
    2-pentanone 10.66
    anisole 7.62
    cyclopentyl methyl ether 8.73
    gamma-butyrolactone 74.74
    1-methoxy-2-propanol 17.35
    pyridine 28.68
    3-pentanone 10.08
    furfural 58.21
    n-dodecane 0.12
    diethylene glycol 20.54
    diisopropyl ether 0.76
    tert-amyl alcohol 2.34
    acetylacetone 22.7
    n-hexadecane 0.15
    acetophenone 15.72
    methyl propionate 17.35
    isopentyl acetate 11.45
    trichloroethylene 74.0
    n-nonanol 3.08
    cyclohexanol 2.91
    benzyl alcohol 9.32
    2-ethylhexanol 2.13
    isooctanol 2.61
    dipropyl ether 3.28
    1,2-dichlorobenzene 9.99
    ethyl lactate 12.23
    propylene carbonate 30.4
    n-methylformamide 25.38
    2-pentanol 1.38
    n-pentane 0.07
    1-propoxy-2-propanol 16.51
    1-methoxy-2-propyl acetate 22.27
    2-(2-methoxypropoxy) propanol 20.28
    mesitylene 0.96
    ε-caprolactone 32.91
    p-cymene 1.73
    epichlorohydrin 74.32
    1,1,1-trichloroethane 15.14
    2-aminoethanol 4.73
    morpholine-4-carbaldehyde 86.71
    sulfolane 115.92
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 13.99
    n-hexyl acetate 11.99
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 22.7
    sec-butyl acetate 7.44
    tert-butyl acetate 8.17
    decalin 0.16
    glycerin 11.8
    diglyme 35.75
    acrylic acid 22.03
    isopropyl myristate 4.93
    n-butyric acid 13.12
    acetyl acetate 12.06
    di(2-ethylhexyl) phthalate 9.58
    ethyl propionate 10.94
    nitromethane 72.14
    1,2-diethoxyethane 10.05
    benzonitrile 12.75
    trioctyl phosphate 6.34
    1-bromopropane 4.67
    gamma-valerolactone 107.11
    n-decanol 2.22
    triethyl phosphate 7.87
    4-methyl-2-pentanol 1.26
    propionitrile 8.13
    vinylene carbonate 36.12
    1,1,2-trichlorotrifluoroethane 78.12
    DMS 21.6
    cumene 1.34
    2-octanol 1.84
    2-hexanone 11.43
    octyl acetate 7.09
    limonene 1.77
    1,2-dimethoxyethane 27.1
    ethyl orthosilicate 6.23
    tributyl phosphate 7.46
    diacetone alcohol 14.18
    N,N-dimethylaniline 5.7
    acrylonitrile 17.91
    aniline 6.61
    1,3-propanediol 6.35
    bromobenzene 8.01
    dibromomethane 15.96
    1,1,2,2-tetrachloroethane 49.36
    2-methyl-cyclohexyl acetate 10.86
    tetrabutyl urea 11.71
    diisobutyl methanol 1.47
    2-phenylethanol 9.94
    styrene 2.34
    dioctyl adipate 10.52
    dimethyl sulfate 48.51
    ethyl butyrate 9.29
    methyl lactate 20.96
    butyl lactate 14.48
    diethyl carbonate 7.68
    propanediol butyl ether 14.9
    triethyl orthoformate 8.69
    p-tert-butyltoluene 1.5
    methyl 4-tert-butylbenzoate 16.66
    morpholine 26.29
    tert-butylamine 0.79
    n-dodecanol 1.64
    dimethoxymethane 30.34
    ethylene carbonate 25.0
    cyrene 33.59
    2-ethoxyethyl acetate 21.61
    2-ethylhexyl acetate 9.46
    1,2,4-trichlorobenzene 18.06
    4-methylpyridine 19.64
    dibutyl ether 2.98
    2,6-dimethyl-4-heptanol 1.47
    DEF 19.31
    dimethyl isosorbide 43.83
    tetrachloroethylene 23.34
    eugenol 17.71
    triacetin 24.25
    span 80 16.35
    1,4-butanediol 3.31
    1,1-dichloroethane 13.07
    2-methyl-1-pentanol 2.62
    methyl formate 24.54
    2-methyl-1-butanol 2.36
    n-decane 0.19
    butyronitrile 5.7
    3,7-dimethyl-1-octanol 2.78
    1-chlorooctane 1.35
    1-chlorotetradecane 0.65
    n-nonane 0.13
    undecane 0.15
    tert-butylcyclohexane 0.13
    cyclooctane 0.06
    cyclopentanol 5.85
    tetrahydropyran 9.34
    tert-amyl methyl ether 2.38
    2,5,8-trioxanonane 27.21
    1-hexene 0.59
    2-isopropoxyethanol 10.38
    2,2,2-trifluoroethanol 14.42
    methyl butyrate 14.75

    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