artonol A

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  • Identifiers

    CAS number
    186824-57-7

    Molecular formula
    C21H20O5

    SMILES
    CC(=C)C1CC2=C(C(=O)C1)OC3=C(C2=O)C(=CC4=C3C=CC(O4)(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Mint 37.1%
    Sweet 36.93%
    Spicy 36.45%
    Woody 33.75%
    Herbal 33.33%
    Phenolic 32.17%
    Fruity 29.75%
    Tobacco 27.13%
    Dry 25.21%
    Citrus 21.39%

     

    Flavor
    Bitter 88.41%
    Cedarleaf 20.11%
    Lovage 19.92%
    Basil 18.91%
    Parsley 18.83%
    Ripe apricot 18.4%
    Red fruit 18.21%
    Heather 17.75%
    Leaves 17.74%
    Nitrile 17.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.03 (weak base)

    Molecular weight
    352.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    883°C

    Melting point expt.

    • 189 - 196 °C

    Flash point

    • 219.49 ˚C est.

  • Synonyms

    • artonol A
    • CHEMBL463089
    • CHEBI:175508
    • DTXSID601114802
    • 11-hydroxy-2,2-dimethyl-8-(prop-1-en-2-yl)-2,6,7,8,9,10-hexahydro-1,5-dioxatetraphene-6,10-dione
    • 186824-57-7
    • 6-Hydroxy-3,3-dimethyl-9-(prop-1-en-2-yl)-9,10-dihydro-3H,7H-pyrano[2,3-c]xanthene-7,11(8H)-dione
    • 6-hydroxy-3,3-dimethyl-9-prop-1-en-2-yl-9,10-dihydro-8H-pyrano[2,3-c]xanthene-7,11-dione
    • 9,10-Dihydro-6-hydroxy-3,3-dimethyl-9-(1-methylethenyl)-3H,7H-pyrano[2,3-c]xanthene-7,11(8H)-dione
    • 186824-57-7

  • Applications

    Artonol A, CAS 186824-57-7, is typically considered an intermediate in organic synthesis and may be evaluated for use as a fragrance component or odorant. It can be employed in cosmetics and personal care formulations as a scent ingredient, and may serve as a building block for polymers and plastics. It could find applications in coatings and inks as a reactive precursor or additive, and in industrial manufacturing as a reagent for the synthesis of more complex molecules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.79
    methanol 11.95
    isopropanol 11.26
    water 0.01
    ethyl acetate 34.7
    n-propanol 14.66
    acetone 50.22
    n-butanol 12.93
    acetonitrile 24.56
    DMF 178.42
    toluene 16.2
    isobutanol 12.32
    1,4-dioxane 57.2
    methyl acetate 47.04
    THF 183.83
    2-butanone 54.18
    n-pentanol 8.82
    sec-butanol 10.85
    n-hexane 0.19
    ethylene glycol 7.5
    NMP 210.09
    cyclohexane 0.56
    DMSO 163.48
    n-butyl acetate 27.13
    n-octanol 3.85
    chloroform 151.36
    n-propyl acetate 24.99
    acetic acid 61.64
    dichloromethane 126.98
    cyclohexanone 84.46
    propylene glycol 13.08
    isopropyl acetate 26.83
    DMAc 239.42
    2-ethoxyethanol 35.52
    isopentanol 14.64
    n-heptane 0.19
    ethyl formate 26.72
    1,2-dichloroethane 69.3
    n-hexanol 8.75
    2-methoxyethanol 84.61
    isobutyl acetate 20.02
    tetrachloromethane 5.72
    n-pentyl acetate 17.62
    transcutol 169.32
    n-heptanol 5.37
    ethylbenzene 5.85
    MIBK 26.73
    2-propoxyethanol 63.38
    tert-butanol 14.18
    MTBE 9.44
    2-butoxyethanol 31.51
    propionic acid 31.71
    o-xylene 7.42
    formic acid 20.44
    diethyl ether 8.89
    m-xylene 9.15
    p-xylene 8.94
    chlorobenzene 27.62
    dimethyl carbonate 46.22
    n-octane 0.11
    formamide 35.79
    cyclopentanone 140.6
    2-pentanone 37.1
    anisole 22.29
    cyclopentyl methyl ether 37.59
    gamma-butyrolactone 156.22
    1-methoxy-2-propanol 69.03
    pyridine 79.83
    3-pentanone 27.06
    furfural 118.74
    n-dodecane 0.17
    diethylene glycol 54.9
    diisopropyl ether 2.92
    tert-amyl alcohol 12.24
    acetylacetone 62.02
    n-hexadecane 0.21
    acetophenone 32.79
    methyl propionate 48.18
    isopentyl acetate 29.56
    trichloroethylene 211.24
    n-nonanol 4.76
    cyclohexanol 17.48
    benzyl alcohol 27.7
    2-ethylhexanol 6.67
    isooctanol 5.66
    dipropyl ether 6.69
    1,2-dichlorobenzene 27.65
    ethyl lactate 23.5
    propylene carbonate 71.25
    n-methylformamide 61.33
    2-pentanol 7.43
    n-pentane 0.21
    1-propoxy-2-propanol 38.2
    1-methoxy-2-propyl acetate 56.59
    2-(2-methoxypropoxy) propanol 49.68
    mesitylene 4.35
    ε-caprolactone 78.67
    p-cymene 4.6
    epichlorohydrin 227.08
    1,1,1-trichloroethane 47.01
    2-aminoethanol 15.15
    morpholine-4-carbaldehyde 194.53
    sulfolane 200.97
    2,2,4-trimethylpentane 0.29
    2-methyltetrahydrofuran 60.74
    n-hexyl acetate 20.06
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 57.62
    sec-butyl acetate 19.65
    tert-butyl acetate 30.45
    decalin 0.53
    glycerin 32.53
    diglyme 105.55
    acrylic acid 39.35
    isopropyl myristate 9.1
    n-butyric acid 40.64
    acetyl acetate 29.55
    di(2-ethylhexyl) phthalate 17.27
    ethyl propionate 24.83
    nitromethane 133.11
    1,2-diethoxyethane 27.88
    benzonitrile 31.88
    trioctyl phosphate 10.21
    1-bromopropane 18.42
    gamma-valerolactone 213.12
    n-decanol 3.76
    triethyl phosphate 16.41
    4-methyl-2-pentanol 6.79
    propionitrile 24.77
    vinylene carbonate 69.96
    1,1,2-trichlorotrifluoroethane 137.94
    DMS 42.9
    cumene 4.12
    2-octanol 3.34
    2-hexanone 24.9
    octyl acetate 12.24
    limonene 5.59
    1,2-dimethoxyethane 65.1
    ethyl orthosilicate 14.2
    tributyl phosphate 13.83
    diacetone alcohol 54.69
    N,N-dimethylaniline 15.66
    acrylonitrile 42.88
    aniline 32.47
    1,3-propanediol 27.93
    bromobenzene 27.23
    dibromomethane 54.36
    1,1,2,2-tetrachloroethane 142.88
    2-methyl-cyclohexyl acetate 23.38
    tetrabutyl urea 20.61
    diisobutyl methanol 5.15
    2-phenylethanol 29.38
    styrene 7.64
    dioctyl adipate 19.67
    dimethyl sulfate 89.87
    ethyl butyrate 20.29
    methyl lactate 47.77
    butyl lactate 24.23
    diethyl carbonate 16.54
    propanediol butyl ether 29.52
    triethyl orthoformate 17.72
    p-tert-butyltoluene 4.09
    methyl 4-tert-butylbenzoate 31.81
    morpholine 88.97
    tert-butylamine 4.77
    n-dodecanol 2.89
    dimethoxymethane 85.51
    ethylene carbonate 54.85
    cyrene 58.86
    2-ethoxyethyl acetate 40.81
    2-ethylhexyl acetate 21.83
    1,2,4-trichlorobenzene 45.0
    4-methylpyridine 75.28
    dibutyl ether 5.18
    2,6-dimethyl-4-heptanol 5.15
    DEF 57.62
    dimethyl isosorbide 95.93
    tetrachloroethylene 57.1
    eugenol 35.57
    triacetin 37.82
    span 80 29.91
    1,4-butanediol 8.64
    1,1-dichloroethane 53.38
    2-methyl-1-pentanol 11.02
    methyl formate 52.42
    2-methyl-1-butanol 13.65
    n-decane 0.23
    butyronitrile 21.45
    3,7-dimethyl-1-octanol 6.89
    1-chlorooctane 1.83
    1-chlorotetradecane 1.05
    n-nonane 0.17
    undecane 0.2
    tert-butylcyclohexane 0.41
    cyclooctane 0.19
    cyclopentanol 27.76
    tetrahydropyran 37.77
    tert-amyl methyl ether 9.36
    2,5,8-trioxanonane 80.87
    1-hexene 1.54
    2-isopropoxyethanol 26.0
    2,2,2-trifluoroethanol 20.7
    methyl butyrate 34.34

    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