Artonin V

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  • Identifiers

    CAS number
    158642-43-4

    Molecular formula
    C25H26O7

    SMILES
    CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC(=C(C=C3O)O)O)CC=C(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 50.72%
    Spicy 39.73%
    Odorless 35.53%
    Burnt 29.97%
    Woody 29.69%
    Smoky 29.23%
    Dry 25.06%
    Medicinal 24.26%
    Fruity 23.22%
    Leathery 20.94%

     

    Flavor
    Bitter 89.15%
    Odorless 20.71%
    Cedarleaf 20.33%
    Parsley 19.81%
    Lovage 19.53%
    Bland 19.2%
    Nitrile 19.0%
    Eugenol 18.81%
    Sweet-like 18.67%
    Heather 18.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    10.55 (weak base)

    Molecular weight
    438.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1502°C

    Melting point expt.

    • 85 - 87 °C

    Flash point

    • 260.4 ˚C est.

  • Synonyms

    • Artonin V
    • CHEBI:175538
    • DTXSID801119022
    • 5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)chromen-4-one
    • 158642-43-4
    • 5,7-Dihydroxy-3,8-bis(3-methyl-2-buten-1-yl)-2-(2,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
    • 5,7-dihydroxy-3,8-bis(3-methyl-2-butenyl)-2-(2,4,5-trihydroxyphenyl)-4h -1-benzopyran-4-one
    • 5,7-Dihydroxy-3,8-bis(3-methyl-2-butenyl)-2-(2,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one, 9CI
    • 5,7-Dihydroxy-3,8-bis(3-methylbut-2-en-1-yl)-2-(2,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
    • 158642-43-4

  • Applications

    Artonin V, CAS 158642-43-4, is a natural product in the xanthone class with prenylation, primarily of interest as a lead compound in pharmaceutical and biomedical research and as a scaffold for the synthesis of more complex xanthone derivatives. In chemical and drug development contexts, it is often viewed as an intermediate or starting point for structure–activity relationship (SAR) studies and the exploration of bioactive profiles. It also serves as an analytical reference material for the identification and quantitation of artonin-family compounds using chromatographic methods such as LC-MS. In cosmetics and personal care, Artonin V may be evaluated as a potential bioactive ingredient for formulations, subject to local regulations and formulation limits. Applications in other industries depend on safety and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.78
    methanol 4.82
    isopropanol 3.85
    water 0.0
    ethyl acetate 3.55
    n-propanol 6.5
    acetone 7.02
    n-butanol 3.33
    acetonitrile 2.76
    DMF 61.74
    toluene 0.62
    isobutanol 3.49
    1,4-dioxane 11.47
    methyl acetate 9.04
    THF 57.0
    2-butanone 12.14
    n-pentanol 3.31
    sec-butanol 4.85
    n-hexane 0.04
    ethylene glycol 4.56
    NMP 94.46
    cyclohexane 0.04
    DMSO 115.63
    n-butyl acetate 4.2
    n-octanol 1.12
    chloroform 3.39
    n-propyl acetate 4.57
    acetic acid 22.22
    dichloromethane 2.78
    cyclohexanone 12.81
    propylene glycol 15.77
    isopropyl acetate 2.8
    DMAc 101.13
    2-ethoxyethanol 21.81
    isopentanol 2.43
    n-heptane 0.04
    ethyl formate 3.4
    1,2-dichloroethane 2.79
    n-hexanol 1.96
    2-methoxyethanol 46.75
    isobutyl acetate 2.8
    tetrachloromethane 0.22
    n-pentyl acetate 3.79
    transcutol 63.08
    n-heptanol 1.77
    ethylbenzene 0.39
    MIBK 2.84
    2-propoxyethanol 27.91
    tert-butanol 4.3
    MTBE 2.19
    2-butoxyethanol 14.33
    propionic acid 12.35
    o-xylene 0.43
    formic acid 8.29
    diethyl ether 1.38
    m-xylene 0.38
    p-xylene 0.65
    chlorobenzene 0.86
    dimethyl carbonate 7.79
    n-octane 0.02
    formamide 13.42
    cyclopentanone 36.15
    2-pentanone 5.03
    anisole 2.93
    cyclopentyl methyl ether 5.5
    gamma-butyrolactone 51.14
    1-methoxy-2-propanol 40.76
    pyridine 12.46
    3-pentanone 4.1
    furfural 26.41
    n-dodecane 0.03
    diethylene glycol 24.83
    diisopropyl ether 0.31
    tert-amyl alcohol 4.8
    acetylacetone 9.87
    n-hexadecane 0.03
    acetophenone 5.27
    methyl propionate 8.95
    isopentyl acetate 4.43
    trichloroethylene 9.98
    n-nonanol 1.3
    cyclohexanol 2.55
    benzyl alcohol 4.66
    2-ethylhexanol 1.15
    isooctanol 1.59
    dipropyl ether 1.93
    1,2-dichlorobenzene 0.91
    ethyl lactate 7.62
    propylene carbonate 12.44
    n-methylformamide 19.22
    2-pentanol 1.89
    n-pentane 0.03
    1-propoxy-2-propanol 18.52
    1-methoxy-2-propyl acetate 14.37
    2-(2-methoxypropoxy) propanol 17.4
    mesitylene 0.17
    ε-caprolactone 16.48
    p-cymene 0.41
    epichlorohydrin 45.98
    1,1,1-trichloroethane 1.52
    2-aminoethanol 10.28
    morpholine-4-carbaldehyde 70.06
    sulfolane 122.12
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 12.01
    n-hexyl acetate 3.86
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 22.64
    sec-butyl acetate 2.98
    tert-butyl acetate 4.62
    decalin 0.04
    glycerin 32.53
    diglyme 35.46
    acrylic acid 15.71
    isopropyl myristate 1.45
    n-butyric acid 8.71
    acetyl acetate 2.74
    di(2-ethylhexyl) phthalate 3.07
    ethyl propionate 4.09
    nitromethane 39.87
    1,2-diethoxyethane 7.04
    benzonitrile 2.7
    trioctyl phosphate 1.98
    1-bromopropane 0.97
    gamma-valerolactone 81.33
    n-decanol 0.94
    triethyl phosphate 2.78
    4-methyl-2-pentanol 1.06
    propionitrile 3.26
    vinylene carbonate 9.69
    1,1,2-trichlorotrifluoroethane 54.42
    DMS 8.2
    cumene 0.31
    2-octanol 1.05
    2-hexanone 5.18
    octyl acetate 2.2
    limonene 0.5
    1,2-dimethoxyethane 25.51
    ethyl orthosilicate 2.43
    tributyl phosphate 2.44
    diacetone alcohol 16.54
    N,N-dimethylaniline 2.56
    acrylonitrile 6.44
    aniline 2.86
    1,3-propanediol 11.83
    bromobenzene 0.57
    dibromomethane 1.29
    1,1,2,2-tetrachloroethane 9.02
    2-methyl-cyclohexyl acetate 3.89
    tetrabutyl urea 4.16
    diisobutyl methanol 0.88
    2-phenylethanol 4.2
    styrene 0.45
    dioctyl adipate 3.7
    dimethyl sulfate 23.75
    ethyl butyrate 3.44
    methyl lactate 19.06
    butyl lactate 8.69
    diethyl carbonate 2.37
    propanediol butyl ether 16.66
    triethyl orthoformate 4.08
    p-tert-butyltoluene 0.46
    methyl 4-tert-butylbenzoate 8.76
    morpholine 27.58
    tert-butylamine 0.96
    n-dodecanol 0.65
    dimethoxymethane 23.77
    ethylene carbonate 6.43
    cyrene 25.22
    2-ethoxyethyl acetate 9.56
    2-ethylhexyl acetate 2.98
    1,2,4-trichlorobenzene 2.39
    4-methylpyridine 7.38
    dibutyl ether 1.19
    2,6-dimethyl-4-heptanol 0.88
    DEF 11.08
    dimethyl isosorbide 34.85
    tetrachloroethylene 3.0
    eugenol 10.52
    triacetin 9.88
    span 80 12.69
    1,4-butanediol 4.3
    1,1-dichloroethane 1.61
    2-methyl-1-pentanol 2.76
    methyl formate 11.64
    2-methyl-1-butanol 3.08
    n-decane 0.04
    butyronitrile 2.08
    3,7-dimethyl-1-octanol 1.38
    1-chlorooctane 0.28
    1-chlorotetradecane 0.13
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.04
    cyclooctane 0.01
    cyclopentanol 6.72
    tetrahydropyran 5.6
    tert-amyl methyl ether 2.4
    2,5,8-trioxanonane 24.84
    1-hexene 0.27
    2-isopropoxyethanol 11.76
    2,2,2-trifluoroethanol 5.84
    methyl butyrate 6.31

    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